BAS 00682926
TL;DR: BAS 00682926 (CAS 301305-70-4) is a chemical compound with molecular formula C23H27NO3S and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00682926, (Z)-ethyl 2-(3-(4-isopropylphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[(Z)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H27NO3S |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 5.5789 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.17117 |
| Heavy Atoms | 28 |
| Complexity | 877.99756 |
Chemical Identifiers
| CAS Number | 301305-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C\C3=CC=C(C=C3)C(C)C |
Product Overview
BAS 00682926 (CAS 301305-70-4), with molecular formula C23H27NO3S and molecular weight 397.17 g/mol. IUPAC: ethyl 2-[[(Z)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00682926
Property Insights of BAS 00682926
The XLogP value of 5.5789 indicates that BAS 00682926 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00682926 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00682926 has 1 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 00682926?
The CAS number of BAS 00682926 is 301305-70-4.
What is the molecular formula of BAS 00682926?
The molecular formula of BAS 00682926 is C23H27NO3S.
What is the molecular weight of BAS 00682926?
The molecular weight of BAS 00682926 is 397.17 g/mol.
Where can I buy BAS 00682926?
You can request a quote for BAS 00682926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682926?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.