A4019/0171443
TL;DR: A4019/0171443 (CAS 895849-70-4) is a chemical compound with molecular formula C22H16ClN3O4S2 and molecular weight 485.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: A4019/0171443, 2-chloro-5-(2-((4-oxo-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoic acid, 2-chloro-5-[({[4-hydroxy-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid, 2-chloro-5-[[2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid, REGID_for_CID_6324349
| Molecular Formula | C22H16ClN3O4S2 |
|---|---|
| Molecular Weight | 485.03 g/mol |
| LogP | 5.04242 |
| Topological Polar Surface Area | 112.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.02707 |
| Heavy Atoms | 32 |
| Complexity | 1396.8209 |
Chemical Identifiers
| CAS Number | 895849-70-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O |
Product Overview
A4019/0171443 (CAS 895849-70-4), with molecular formula C22H16ClN3O4S2 and molecular weight 485.03 g/mol. IUPAC: 2-chloro-5-[[2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of A4019/0171443
Property Insights of A4019/0171443
The XLogP value of 5.04242 indicates that A4019/0171443 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 A4019/0171443. Following Lipinski's Rule of Five, A4019/0171443 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4019/0171443?
The CAS number of A4019/0171443 is 895849-70-4.
What is the molecular formula of A4019/0171443?
The molecular formula of A4019/0171443 is C22H16ClN3O4S2.
What is the molecular weight of A4019/0171443?
The molecular weight of A4019/0171443 is 485.03 g/mol.
Where can I buy A4019/0171443?
You can request a quote for A4019/0171443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4019/0171443?
Yes, KEHONG BIO provides custom synthesis services for A4019/0171443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.