BAS 01555789
TL;DR: BAS 01555789 (CAS 1164556-09-5) is a chemical compound with molecular formula C18H19N3O4S2 and molecular weight 405.08 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-thiophen-2-ylacetyl)amino]carbamothioyl]prop-2-enamide
Also Known As: BAS 01555789, (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]prop-2-enamide, 3-(3,4-Dimethoxy-phenyl)-N-[N'-(2-thiophen-2-yl-acetyl)-hydrazinocarbothioyl]-acrylamide, (2E)-3-(3,4-dimethoxyphenyl)-N-{[2-(thiophen-2-ylacetyl)hydrazinyl]carbonothioyl}prop-2-enamide, (E)-3-(3,4-dimethoxyphenyl)-N-(2-(2-(thiophen-2-yl)acetyl)hydrazinecarbonothioyl)acrylamide
| Molecular Formula | C18H19N3O4S2 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 2.0431 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.0817 |
| Heavy Atoms | 27 |
| Complexity | 835.1372 |
Chemical Identifiers
| CAS Number | 1164556-09-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CC2=CC=CS2)OC |
Product Overview
BAS 01555789 (CAS 1164556-09-5), with molecular formula C18H19N3O4S2 and molecular weight 405.08 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 01555789
Property Insights of BAS 01555789
The XLogP value of 2.0431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01555789. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01555789. Following Lipinski's Rule of Five, BAS 01555789 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 01555789?
The CAS number of BAS 01555789 is 1164556-09-5.
What is the molecular formula of BAS 01555789?
The molecular formula of BAS 01555789 is C18H19N3O4S2.
What is the molecular weight of BAS 01555789?
The molecular weight of BAS 01555789 is 405.08 g/mol.
Where can I buy BAS 01555789?
You can request a quote for BAS 01555789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01555789?
Yes, KEHONG BIO provides custom synthesis services for BAS 01555789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.