AB00116832-01
TL;DR: AB00116832-01 (CAS 431931-90-7) is a chemical compound with molecular formula C20H16ClN5O3S and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]furan-2-carboxamide
Also Known As: AB00116832-01, N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]furan-2-carboxamide, N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}furan-2-carboxamide, N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]furan-2-carboxamide
| Molecular Formula | C20H16ClN5O3S |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 4.11072 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.06622 |
| Heavy Atoms | 30 |
| Complexity | 1253.0559 |
Chemical Identifiers
| CAS Number | 431931-90-7 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CO3)C4=CC(=C(C=C4)OC)Cl |
Product Overview
AB00116832-01 (CAS 431931-90-7), with molecular formula C20H16ClN5O3S and molecular weight 441.07 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of AB00116832-01
Property Insights of AB00116832-01
The XLogP value of 4.11072 indicates that AB00116832-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116832-01. Following Lipinski's Rule of Five, AB00116832-01 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 AB00116832-01?
The CAS number of AB00116832-01 is 431931-90-7.
What is the molecular formula of AB00116832-01?
The molecular formula of AB00116832-01 is C20H16ClN5O3S.
What is the molecular weight of AB00116832-01?
The molecular weight of AB00116832-01 is 441.07 g/mol.
Where can I buy AB00116832-01?
You can request a quote for AB00116832-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116832-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116832-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.