BAS 00685818
TL;DR: BAS 00685818 (CAS 301305-75-9) is a chemical compound with molecular formula C20H21NO4S and molecular weight 371.12 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00685818, (E)-ethyl 2-(3-(4-methoxyphenyl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-[(2E)-3-(4-METHOXYPHENYL)PROP-2-ENAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, F0238-0024, ethyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C20H21NO4S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.074 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.11914 |
| Heavy Atoms | 26 |
| Complexity | 836.2412 |
Chemical Identifiers
| CAS Number | 301305-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)/C=C/C3=CC=C(C=C3)OC |
Product Overview
BAS 00685818 (CAS 301305-75-9), with molecular formula C20H21NO4S and molecular weight 371.12 g/mol. IUPAC: ethyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00685818
Property Insights of BAS 00685818
The XLogP value of 4.074 indicates that BAS 00685818 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 00685818. Following Lipinski's Rule of Five, BAS 00685818 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 00685818?
The CAS number of BAS 00685818 is 301305-75-9.
What is the molecular formula of BAS 00685818?
The molecular formula of BAS 00685818 is C20H21NO4S.
What is the molecular weight of BAS 00685818?
The molecular weight of BAS 00685818 is 371.12 g/mol.
Where can I buy BAS 00685818?
You can request a quote for BAS 00685818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00685818?
Yes, KEHONG BIO provides custom synthesis services for BAS 00685818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.