BAS 00235951
TL;DR: BAS 00235951 (CAS 299955-46-7) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00235951, BIM-0014663.P001, ethyl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, (E)-ethyl 2-(3-(4-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.4641 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 851.8117 |
Chemical Identifiers
| CAS Number | 299955-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC=C(C=C3)OC |
Product Overview
BAS 00235951 (CAS 299955-46-7), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: ethyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00235951
Property Insights of BAS 00235951
The XLogP value of 4.4641 indicates that BAS 00235951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00235951. Following Lipinski's Rule of Five, BAS 00235951 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 00235951?
The CAS number of BAS 00235951 is 299955-46-7.
What is the molecular formula of BAS 00235951?
The molecular formula of BAS 00235951 is C21H23NO4S.
What is the molecular weight of BAS 00235951?
The molecular weight of BAS 00235951 is 385.13 g/mol.
Where can I buy BAS 00235951?
You can request a quote for BAS 00235951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00235951?
Yes, KEHONG BIO provides custom synthesis services for BAS 00235951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.