AB00673622-01
TL;DR: AB00673622-01 (CAS 489424-26-2) is a chemical compound with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00673622-01, A3756/0159261, F1198-0027, methyl 2-({[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C20H19N3O4S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 3.3808 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.0817 |
| Heavy Atoms | 29 |
| Complexity | 1152.3241 |
Chemical Identifiers
| CAS Number | 489424-26-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 |
Product Overview
AB00673622-01 (CAS 489424-26-2), with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol. IUPAC: methyl 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00673622-01
Property Insights of AB00673622-01
The XLogP value of 3.3808 indicates that AB00673622-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673622-01. Following Lipinski's Rule of Five, AB00673622-01 has 2 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 AB00673622-01?
The CAS number of AB00673622-01 is 489424-26-2.
What is the molecular formula of AB00673622-01?
The molecular formula of AB00673622-01 is C20H19N3O4S2.
What is the molecular weight of AB00673622-01?
The molecular weight of AB00673622-01 is 429.08 g/mol.
Where can I buy AB00673622-01?
You can request a quote for AB00673622-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673622-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673622-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.