BAS 00831976
TL;DR: BAS 00831976 (CAS 330188-69-7) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00831976, N-(4-ethoxyphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, A2176/0091398, N-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(4-ETHOXYPHENYL)-2-(2-PHENYLACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 5.4591 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 1058.3761 |
Chemical Identifiers
| CAS Number | 330188-69-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CC4=CC=CC=C4 |
Product Overview
BAS 00831976 (CAS 330188-69-7), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00831976
Property Insights of BAS 00831976
The XLogP value of 5.4591 indicates that BAS 00831976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00831976. Following Lipinski's Rule of Five, BAS 00831976 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00831976?
The CAS number of BAS 00831976 is 330188-69-7.
What is the molecular formula of BAS 00831976?
The molecular formula of BAS 00831976 is C25H26N2O3S.
What is the molecular weight of BAS 00831976?
The molecular weight of BAS 00831976 is 434.17 g/mol.
Where can I buy BAS 00831976?
You can request a quote for BAS 00831976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00831976?
Yes, KEHONG BIO provides custom synthesis services for BAS 00831976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.