BAS 01555534
TL;DR: BAS 01555534 (CAS 1164520-22-2) is a chemical compound with molecular formula C17H19N5O4S and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide
Also Known As: BAS 01555534, (2E)-3-(3,4-dimethoxyphenyl)-N-({2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide, (E)-3-(3,4-dimethoxyphenyl)-N-(2-(1-methyl-1H-pyrazole-5-carbonyl)hydrazinecarbonothioyl)acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide, 3-(3,4-Dimethoxy-phenyl)-N-[N'-(2-methyl-2H-pyrazole-3-carbonyl)-hydrazinocarbothioyl]-acrylamide
| Molecular Formula | C17H19N5O4S |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 0.7862 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.11578 |
| Heavy Atoms | 27 |
| Complexity | 877.95874 |
Chemical Identifiers
| CAS Number | 1164520-22-2 |
|---|---|
| SMILES | CN1C(=CC=N1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC |
Product Overview
BAS 01555534 (CAS 1164520-22-2), with molecular formula C17H19N5O4S and molecular weight 389.12 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 01555534
Property Insights of BAS 01555534
The XLogP value of 0.7862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01555534. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01555534. Following Lipinski's Rule of Five, BAS 01555534 has 3 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 BAS 01555534?
The CAS number of BAS 01555534 is 1164520-22-2.
What is the molecular formula of BAS 01555534?
The molecular formula of BAS 01555534 is C17H19N5O4S.
What is the molecular weight of BAS 01555534?
The molecular weight of BAS 01555534 is 389.12 g/mol.
Where can I buy BAS 01555534?
You can request a quote for BAS 01555534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01555534?
Yes, KEHONG BIO provides custom synthesis services for BAS 01555534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.