AN-465/41401136
TL;DR: AN-465/41401136 (CAS 671773-34-5) is a chemical compound with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: AN-465/41401136, 2-chloro-5-(5-((2-((4-ethylphenyl)amino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid, 2-chloro-5-(5-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)benzoic acid, 2-chloro-5-[5-[(4-ethylphenyl)carbamoylmethylsulfanyl]tetrazol-1-yl]benzoic Acid, 2-chloro-5-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
| Molecular Formula | C18H16ClN5O3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 3.3071 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.06622 |
| Heavy Atoms | 28 |
| Complexity | 1006.7106 |
Chemical Identifiers
| CAS Number | 671773-34-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
AN-465/41401136 (CAS 671773-34-5), with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol. IUPAC: 2-chloro-5-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of AN-465/41401136
Property Insights of AN-465/41401136
The XLogP value of 3.3071 indicates that AN-465/41401136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41401136. Following Lipinski's Rule of Five, AN-465/41401136 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 AN-465/41401136?
The CAS number of AN-465/41401136 is 671773-34-5.
What is the molecular formula of AN-465/41401136?
The molecular formula of AN-465/41401136 is C18H16ClN5O3S.
What is the molecular weight of AN-465/41401136?
The molecular weight of AN-465/41401136 is 417.07 g/mol.
Where can I buy AN-465/41401136?
You can request a quote for AN-465/41401136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41401136?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41401136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.