BAS 00682916
TL;DR: BAS 00682916 (CAS 5655-32-3) is a chemical compound with molecular formula C22H25NO5S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00682916, ETHYL 2-[[(E)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENOYL]AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE, Ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25NO5S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.4727 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.14536 |
| Heavy Atoms | 29 |
| Complexity | 931.5241 |
Chemical Identifiers
| CAS Number | 5655-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 00682916 (CAS 5655-32-3), with molecular formula C22H25NO5S and molecular weight 415.15 g/mol. IUPAC: ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00682916
Property Insights of BAS 00682916
The XLogP value of 4.4727 indicates that BAS 00682916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00682916. Following Lipinski's Rule of Five, BAS 00682916 has 1 hydrogen bond donor(s) and 6 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 00682916?
The CAS number of BAS 00682916 is 5655-32-3.
What is the molecular formula of BAS 00682916?
The molecular formula of BAS 00682916 is C22H25NO5S.
What is the molecular weight of BAS 00682916?
The molecular weight of BAS 00682916 is 415.15 g/mol.
Where can I buy BAS 00682916?
You can request a quote for BAS 00682916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682916?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.