BAS 00836270
TL;DR: BAS 00836270 (CAS 328023-41-2) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Also Known As: BAS 00836270, (2E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide, (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(3-nitrophenyl)acrylamide
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.05868 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 908.7755 |
Chemical Identifiers
| CAS Number | 328023-41-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C#N |
Product Overview
BAS 00836270 (CAS 328023-41-2), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of BAS 00836270
Property Insights of BAS 00836270
The XLogP value of 4.05868 indicates that BAS 00836270 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836270. Following Lipinski's Rule of Five, BAS 00836270 has 1 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 BAS 00836270?
The CAS number of BAS 00836270 is 328023-41-2.
What is the molecular formula of BAS 00836270?
The molecular formula of BAS 00836270 is C18H15N3O3S.
What is the molecular weight of BAS 00836270?
The molecular weight of BAS 00836270 is 353.08 g/mol.
Where can I buy BAS 00836270?
You can request a quote for BAS 00836270 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836270?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.