BAS 10231187
TL;DR: BAS 10231187 (CAS 727419-68-3) is a chemical compound with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 10231187, A3718/0157518, 4-(2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-[(2-{[4-ALLYL-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID
| Molecular Formula | C19H17N5O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.9551 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.10522 |
| Heavy Atoms | 28 |
| Complexity | 986.56354 |
Chemical Identifiers
| CAS Number | 727419-68-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3 |
Product Overview
BAS 10231187 (CAS 727419-68-3), with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol. IUPAC: 4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of BAS 10231187
Property Insights of BAS 10231187
The XLogP value of 2.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10231187. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10231187. Following Lipinski's Rule of Five, BAS 10231187 has 2 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 10231187?
The CAS number of BAS 10231187 is 727419-68-3.
What is the molecular formula of BAS 10231187?
The molecular formula of BAS 10231187 is C19H17N5O3S.
What is the molecular weight of BAS 10231187?
The molecular weight of BAS 10231187 is 395.11 g/mol.
Where can I buy BAS 10231187?
You can request a quote for BAS 10231187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10231187?
Yes, KEHONG BIO provides custom synthesis services for BAS 10231187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.