BAS 13845757
TL;DR: BAS 13845757 (CAS 728034-92-2) is a chemical compound with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 13845757, A3876/0164742, 3-(2-((5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 3-[({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 3-[(2-{[5-(2-FURYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.9649 |
| Topological Polar Surface Area | 119.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1235.7119 |
Chemical Identifiers
| CAS Number | 728034-92-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CO4 |
Product Overview
BAS 13845757 (CAS 728034-92-2), with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol. IUPAC: 3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of BAS 13845757
Property Insights of BAS 13845757
The XLogP value of 3.9649 indicates that BAS 13845757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13845757. Following Lipinski's Rule of Five, BAS 13845757 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 BAS 13845757?
The CAS number of BAS 13845757 is 728034-92-2.
What is the molecular formula of BAS 13845757?
The molecular formula of BAS 13845757 is C22H18N4O5S.
What is the molecular weight of BAS 13845757?
The molecular weight of BAS 13845757 is 450.10 g/mol.
Where can I buy BAS 13845757?
You can request a quote for BAS 13845757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13845757?
Yes, KEHONG BIO provides custom synthesis services for BAS 13845757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.