AN-648/40963341
TL;DR: AN-648/40963341 (CAS 433252-71-2) is a chemical compound with molecular formula C23H20ClN5O3S and molecular weight 481.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide
Also Known As: AN-648/40963341, N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide, N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-ethoxybenzamide, N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-N'-(3-ethoxybenzoyl)thiourea
| Molecular Formula | C23H20ClN5O3S |
|---|---|
| Molecular Weight | 481.10 g/mol |
| LogP | 4.608 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.09753 |
| Heavy Atoms | 33 |
| Complexity | 1340.9336 |
Chemical Identifiers
| CAS Number | 433252-71-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl |
Product Overview
AN-648/40963341 (CAS 433252-71-2), with molecular formula C23H20ClN5O3S and molecular weight 481.10 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide.
Chemical Property Profile of AN-648/40963341
Property Insights of AN-648/40963341
The XLogP value of 4.608 indicates that AN-648/40963341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/40963341. Following Lipinski's Rule of Five, AN-648/40963341 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-648/40963341?
The CAS number of AN-648/40963341 is 433252-71-2.
What is the molecular formula of AN-648/40963341?
The molecular formula of AN-648/40963341 is C23H20ClN5O3S.
What is the molecular weight of AN-648/40963341?
The molecular weight of AN-648/40963341 is 481.10 g/mol.
Where can I buy AN-648/40963341?
You can request a quote for AN-648/40963341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/40963341?
Yes, KEHONG BIO provides custom synthesis services for AN-648/40963341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.