BAS 01555474
TL;DR: BAS 01555474 (CAS 1164527-25-6) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-[(pyridine-3-carbonylamino)carbamothioyl]prop-2-enamide
Also Known As: BAS 01555474, (E)-3-(3,4-dimethoxyphenyl)-N-(2-nicotinoylhydrazinecarbonothioyl)acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-[(pyridine-3-carbonylamino)carbamothioyl]prop-2-enamide, 3-(3,4-Dimethoxy-phenyl)-N-[N'-(pyridine-3-carbonyl)-hydrazinocarbothioyl]-acrylamide, (2E)-3-(3,4-dimethoxyphenyl)-N-{[2-(pyridin-3-ylcarbonyl)hydrazinyl]carbonothioyl}prop-2-enamide
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.4477 |
| Topological Polar Surface Area | 101.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 855.69507 |
Chemical Identifiers
| CAS Number | 1164527-25-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CN=CC=C2)OC |
Product Overview
BAS 01555474 (CAS 1164527-25-6), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-[(pyridine-3-carbonylamino)carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 01555474
Property Insights of BAS 01555474
The XLogP value of 1.4477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01555474. The TPSA of 101.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01555474. Following Lipinski's Rule of Five, BAS 01555474 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 01555474?
The CAS number of BAS 01555474 is 1164527-25-6.
What is the molecular formula of BAS 01555474?
The molecular formula of BAS 01555474 is C18H18N4O4S.
What is the molecular weight of BAS 01555474?
The molecular weight of BAS 01555474 is 386.10 g/mol.
Where can I buy BAS 01555474?
You can request a quote for BAS 01555474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01555474?
Yes, KEHONG BIO provides custom synthesis services for BAS 01555474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.