![(7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate structure](/static/products/1746/17460-22-9.webp)
(7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
TL;DR: (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate (CAS 17460-22-9) is a chemical compound with molecular formula C29H28O7S2 and molecular weight 552.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
Also Known As: (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate, Methyl 3-O-benzoyl-4,6-O-benzylidene-2-O-[(benzylsulfanyl)carbonothioyl]hexopyranoside
| Molecular Formula | C29H28O7S2 |
|---|---|
| Molecular Weight | 552.13 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 552.1276 |
| Heavy Atoms | 38 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 17460-22-9 |
|---|---|
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=S)SCC5=CC=CC=C5 |
| InChIKey | XHCFDMYRNUAEFS-UHFFFAOYSA-N |
Product Overview
(7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate (CAS 17460-22-9), with molecular formula C29H28O7S2 and molecular weight 552.13 g/mol. IUPAC: (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate.
Chemical Property Profile of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
Property Insights of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
The XLogP value of 5.7 indicates that (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate. Following Lipinski's Rule of Five, (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate?
The CAS number of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate is 17460-22-9.
What is the molecular formula of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate?
The molecular formula of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate is C29H28O7S2.
What is the molecular weight of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate?
The molecular weight of (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate is 552.13 g/mol.
Where can I buy (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate?
You can request a quote for (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (7-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.