A4120/0175698
TL;DR: A4120/0175698 (CAS 893771-91-0) is a chemical compound with molecular formula C16H14O7S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate
Also Known As: A4120/0175698, methyl 5-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate, methyl 5-(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-1-hydroxy-2-oxoethyl)-4-hydroxy -2-methylthiophene-3-carboxylate, methyl 5-(2-(benzo[d][1,3]dioxol-5-yl)-1-hydroxy-2-oxoethyl)-4-hydroxy-2-methylthiophene-3-carboxylate, METHYL 5-[2-(2H-1,3-BENZODIOXOL-5-YL)-1-HYDROXY-2-OXOETHYL]-4-HYDROXY-2-METHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C16H14O7S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 2.19372 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.04602 |
| Heavy Atoms | 24 |
| Complexity | 824.07367 |
Chemical Identifiers
| CAS Number | 893771-91-0 |
|---|---|
| SMILES | CC1=C(C(=C(S1)C(C(=O)C2=CC3=C(C=C2)OCO3)O)O)C(=O)OC |
Product Overview
A4120/0175698 (CAS 893771-91-0), with molecular formula C16H14O7S and molecular weight 350.05 g/mol. IUPAC: methyl 5-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate.
Chemical Property Profile of A4120/0175698
Property Insights of A4120/0175698
The XLogP value of 2.19372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4120/0175698. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A4120/0175698. Following Lipinski's Rule of Five, A4120/0175698 has 2 hydrogen bond donor(s) and 8 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 A4120/0175698?
The CAS number of A4120/0175698 is 893771-91-0.
What is the molecular formula of A4120/0175698?
The molecular formula of A4120/0175698 is C16H14O7S.
What is the molecular weight of A4120/0175698?
The molecular weight of A4120/0175698 is 350.05 g/mol.
Where can I buy A4120/0175698?
You can request a quote for A4120/0175698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4120/0175698?
Yes, KEHONG BIO provides custom synthesis services for A4120/0175698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.