BAS 00836330
TL;DR: BAS 00836330 (CAS 328023-42-3) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00836330, 2-{[3-(3-nitrophenyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2E)-3-(3-NITROPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.2859 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 917.1552 |
Chemical Identifiers
| CAS Number | 328023-42-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N |
Product Overview
BAS 00836330 (CAS 328023-42-3), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00836330
Property Insights of BAS 00836330
The XLogP value of 3.2859 indicates that BAS 00836330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836330. Following Lipinski's Rule of Five, BAS 00836330 has 2 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 00836330?
The CAS number of BAS 00836330 is 328023-42-3.
What is the molecular formula of BAS 00836330?
The molecular formula of BAS 00836330 is C18H17N3O4S.
What is the molecular weight of BAS 00836330?
The molecular weight of BAS 00836330 is 371.09 g/mol.
Where can I buy BAS 00836330?
You can request a quote for BAS 00836330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836330?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.