AB01320771-02
TL;DR: AB01320771-02 (CAS 461693-08-3) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide
Also Known As: AB01320771-02, N-[[(2-methylbenzoyl)amino]thiocarbamoyl]-3-phenyl-prop-2-enamide, N-{[2-(2-methylbenzoyl)hydrazino]carbonothioyl}-3-phenylacrylamide, (E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide, (2E)-N-({2-[(2-methylphenyl)carbonyl]hydrazinyl}carbonothioyl)-3-phenylprop-2-enamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 2.34392 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 772.84314 |
Chemical Identifiers
| CAS Number | 461693-08-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
AB01320771-02 (CAS 461693-08-3), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: (E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of AB01320771-02
Property Insights of AB01320771-02
The XLogP value of 2.34392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01320771-02. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01320771-02. Following Lipinski's Rule of Five, AB01320771-02 has 3 hydrogen bond donor(s) and 3 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 AB01320771-02?
The CAS number of AB01320771-02 is 461693-08-3.
What is the molecular formula of AB01320771-02?
The molecular formula of AB01320771-02 is C18H17N3O2S.
What is the molecular weight of AB01320771-02?
The molecular weight of AB01320771-02 is 339.10 g/mol.
Where can I buy AB01320771-02?
You can request a quote for AB01320771-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01320771-02?
Yes, KEHONG BIO provides custom synthesis services for AB01320771-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.