AB00116670-01
TL;DR: AB00116670-01 (CAS 431922-62-2) is a chemical compound with molecular formula C19H20ClN5O2S and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methylpropanamide
Also Known As: AB00116670-01, N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methylpropanamide, N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-methylpropanamide
| Molecular Formula | C19H20ClN5O2S |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 3.85992 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.10263 |
| Heavy Atoms | 28 |
| Complexity | 1063.9038 |
Chemical Identifiers
| CAS Number | 431922-62-2 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C(C)C)C3=CC(=C(C=C3)OC)Cl |
Product Overview
AB00116670-01 (CAS 431922-62-2), with molecular formula C19H20ClN5O2S and molecular weight 417.10 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of AB00116670-01
Property Insights of AB00116670-01
The XLogP value of 3.85992 indicates that AB00116670-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116670-01. Following Lipinski's Rule of Five, AB00116670-01 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 AB00116670-01?
The CAS number of AB00116670-01 is 431922-62-2.
What is the molecular formula of AB00116670-01?
The molecular formula of AB00116670-01 is C19H20ClN5O2S.
What is the molecular weight of AB00116670-01?
The molecular weight of AB00116670-01 is 417.10 g/mol.
Where can I buy AB00116670-01?
You can request a quote for AB00116670-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116670-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116670-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.