4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin
TL;DR: 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin (CAS 99296-47-6) is a chemical compound with molecular formula C36H46IN3O11S and molecular weight 855.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-azido-3-iodobenzenesulfonate
Also Known As: 4-Iabsc, KST-1B9560, 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin, [6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-azido-3-iodobenzenesulfonate, 1-({4-o-[(4-azido-3-iodophenyl)sulfonyl]-2,6-dideoxy-3-o-methylhexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
| Molecular Formula | C36H46IN3O11S |
|---|---|
| Molecular Weight | 855.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 855.18976 |
| Heavy Atoms | 52 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 99296-47-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCCC3(C2(C4CCC5(C(CCC5(C4CC3)O)C6=CC(=O)OC6)C)C=O)O)OC)OS(=O)(=O)C7=CC(=C(C=C7)N=[N+]=[N-])I |
| InChIKey | GPRFRWROIZDLOI-UHFFFAOYSA-N |
Product Overview
4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin (CAS 99296-47-6), with molecular formula C36H46IN3O11S and molecular weight 855.19 g/mol. IUPAC: [6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-azido-3-iodobenzenesulfonate.
Chemical Property Profile of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin
Property Insights of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin
The XLogP value of 4.1 indicates that 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin?
The CAS number of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin is 99296-47-6.
What is the molecular formula of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin?
The molecular formula of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin is C36H46IN3O11S.
What is the molecular weight of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin?
The molecular weight of 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin is 855.19 g/mol.
Where can I buy 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin?
You can request a quote for 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin?
Yes, KEHONG BIO provides custom synthesis services for 4'-(3-Iodo-4-azidobenzene sulfonyl)cymarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.