![3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose structure](/static/products/1382/138299-09-9.webp)
3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose
TL;DR: 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose (CAS 138299-09-9) is a chemical compound with molecular formula C32H34O12S2 and molecular weight 674.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[hydroxy-(17-methyl-2,10,15,15-tetraoxo-6-oxa-15λ6-thiapentacyclo[9.7.0.03,9.05,7.012,16]octadeca-1(11),12(16),17-trien-7-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
Also Known As: 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose, BRN 5471105, RefChem:318372
| Molecular Formula | C32H34O12S2 |
|---|---|
| Molecular Weight | 674.15 g/mol |
| LogP | 2.18744 |
| Topological Polar Surface Area | 172.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 674.1492 |
| Heavy Atoms | 46 |
| Complexity | 1917.9396 |
Chemical Identifiers
| CAS Number | 138299-09-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(OC2C(C45CC6C(CC4O5)C(=O)C7=C(C6=O)C8=C(C(=C7)C)S(=O)(=O)CC8)O)OC(O3)(C)C |
Product Overview
3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose (CAS 138299-09-9), with molecular formula C32H34O12S2 and molecular weight 674.15 g/mol. IUPAC: [5-[hydroxy-(17-methyl-2,10,15,15-tetraoxo-6-oxa-15λ6-thiapentacyclo[9.7.0.03,9.05,7.012,16]octadeca-1(11),12(16),17-trien-7-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose
Property Insights of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose
The XLogP value of 2.18744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose. The TPSA of 172.1 Ų indicates high polarity, suggesting 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose?
The CAS number of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose is 138299-09-9.
What is the molecular formula of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose?
The molecular formula of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose is C32H34O12S2.
What is the molecular weight of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose?
The molecular weight of 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose is 674.15 g/mol.
Where can I buy 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose?
You can request a quote for 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose?
Yes, KEHONG BIO provides custom synthesis services for 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,10-tetraoxo-1,2,3,6,6a,7,7a,9,9a,10-decahydro-8aH-3lambda~6~-thieno[2',3':7,8]anthra[2,3-b]oxiren-8a-yl)pentofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.