AN-988/41909296
TL;DR: AN-988/41909296 (CAS 693813-08-0) is a chemical compound with molecular formula C21H21Cl2N5O2S and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide
Also Known As: AN-988/41909296, N-[1-[5-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide, N-[1-(5-{[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-4-methylbenzamide
| Molecular Formula | C21H21Cl2N5O2S |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 4.65212 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.0793 |
| Heavy Atoms | 31 |
| Complexity | 1101.6495 |
Chemical Identifiers
| CAS Number | 693813-08-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)Cl)Cl |
Product Overview
AN-988/41909296 (CAS 693813-08-0), with molecular formula C21H21Cl2N5O2S and molecular weight 477.08 g/mol. IUPAC: N-[1-[5-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide.
Chemical Property Profile of AN-988/41909296
Property Insights of AN-988/41909296
The XLogP value of 4.65212 indicates that AN-988/41909296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/41909296. Following Lipinski's Rule of Five, AN-988/41909296 has 2 hydrogen bond donor(s) and 5 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-988/41909296?
The CAS number of AN-988/41909296 is 693813-08-0.
What is the molecular formula of AN-988/41909296?
The molecular formula of AN-988/41909296 is C21H21Cl2N5O2S.
What is the molecular weight of AN-988/41909296?
The molecular weight of AN-988/41909296 is 477.08 g/mol.
Where can I buy AN-988/41909296?
You can request a quote for AN-988/41909296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/41909296?
Yes, KEHONG BIO provides custom synthesis services for AN-988/41909296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.