BAS 13776474
TL;DR: BAS 13776474 (CAS 887672-77-7) is a chemical compound with molecular formula C17H15N3O4S2 and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 13776474, A4049/0172698, 3-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoic acid, 3-({[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoic acid, 3-({2-[(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL}AMINO)BENZOIC ACID
| Molecular Formula | C17H15N3O4S2 |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 3.03044 |
| Topological Polar Surface Area | 112.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.05038 |
| Heavy Atoms | 26 |
| Complexity | 1071.5455 |
Chemical Identifiers
| CAS Number | 887672-77-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C |
Product Overview
BAS 13776474 (CAS 887672-77-7), with molecular formula C17H15N3O4S2 and molecular weight 389.05 g/mol. IUPAC: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of BAS 13776474
Property Insights of BAS 13776474
The XLogP value of 3.03044 indicates that BAS 13776474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776474. Following Lipinski's Rule of Five, BAS 13776474 has 3 hydrogen bond donor(s) and 6 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 BAS 13776474?
The CAS number of BAS 13776474 is 887672-77-7.
What is the molecular formula of BAS 13776474?
The molecular formula of BAS 13776474 is C17H15N3O4S2.
What is the molecular weight of BAS 13776474?
The molecular weight of BAS 13776474 is 389.05 g/mol.
Where can I buy BAS 13776474?
You can request a quote for BAS 13776474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776474?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.