Methylbenzylpyranosidethionocarbonate
TL;DR: Methylbenzylpyranosidethionocarbonate (CAS 144604-00-2) is a chemical compound with molecular formula C15H16O6S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-12-phenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane-4-thione
Also Known As: Methylbenzylpyranosidethionocarbonate, 4-Methoxy-8-phenyl-hexahydro-1,3,5,7,9-pentaoxa-cyclopenta(a)naphthalene-2-thione, Benzenesulfonamide,N-[5-(2-formylhydrazino)-2-thienyl]-4-methyl, .alpha.-D-Glucopyranoside,6-O-(phenylmethylene)-, cyclic carbonothioate, -.alpha.-D-Glucopyranoside,6-o-(phenylmethylene)-, cyclic 2,3-carbonothioate, dimer
| Molecular Formula | C15H16O6S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.06677 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 144604-00-2 |
|---|---|
| SMILES | COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)OC(=S)O2 |
| InChIKey | WQXKACVWXQXVKD-UHFFFAOYSA-N |
Product Overview
Methylbenzylpyranosidethionocarbonate (CAS 144604-00-2), with molecular formula C15H16O6S and molecular weight 324.07 g/mol. IUPAC: 7-methoxy-12-phenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane-4-thione.
Chemical Property Profile of Methylbenzylpyranosidethionocarbonate
Property Insights of Methylbenzylpyranosidethionocarbonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylbenzylpyranosidethionocarbonate. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylbenzylpyranosidethionocarbonate. Following Lipinski's Rule of Five, Methylbenzylpyranosidethionocarbonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylbenzylpyranosidethionocarbonate?
The CAS number of Methylbenzylpyranosidethionocarbonate is 144604-00-2.
What is the molecular formula of Methylbenzylpyranosidethionocarbonate?
The molecular formula of Methylbenzylpyranosidethionocarbonate is C15H16O6S.
What is the molecular weight of Methylbenzylpyranosidethionocarbonate?
The molecular weight of Methylbenzylpyranosidethionocarbonate is 324.07 g/mol.
Where can I buy Methylbenzylpyranosidethionocarbonate?
You can request a quote for Methylbenzylpyranosidethionocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylbenzylpyranosidethionocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Methylbenzylpyranosidethionocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.