BAS 02869966
TL;DR: BAS 02869966 (CAS 497226-41-2) is a chemical compound with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
Also Known As: BAS 02869966, AN-989/40660233, isopropyl 4-[({[1-(4-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]benzoate, propan-2-yl 4-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate, isopropyl 4-(2-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoate
| Molecular Formula | C19H18ClN5O3S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 3.6117 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.08188 |
| Heavy Atoms | 29 |
| Complexity | 989.83905 |
Chemical Identifiers
| CAS Number | 497226-41-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)Cl |
Product Overview
BAS 02869966 (CAS 497226-41-2), with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol. IUPAC: propan-2-yl 4-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of BAS 02869966
Property Insights of BAS 02869966
The XLogP value of 3.6117 indicates that BAS 02869966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02869966. Following Lipinski's Rule of Five, BAS 02869966 has 1 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 02869966?
The CAS number of BAS 02869966 is 497226-41-2.
What is the molecular formula of BAS 02869966?
The molecular formula of BAS 02869966 is C19H18ClN5O3S.
What is the molecular weight of BAS 02869966?
The molecular weight of BAS 02869966 is 431.08 g/mol.
Where can I buy BAS 02869966?
You can request a quote for BAS 02869966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02869966?
Yes, KEHONG BIO provides custom synthesis services for BAS 02869966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.