CDS1_003843
TL;DR: CDS1_003843 (CAS 424807-98-7) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CDS1_003843, BIM-0017504.P001, (E)-methyl 2-(3-(furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{[3-(2-furyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.6584 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 742.98645 |
Chemical Identifiers
| CAS Number | 424807-98-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC=CO3 |
Product Overview
CDS1_003843 (CAS 424807-98-7), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CDS1_003843
Property Insights of CDS1_003843
The XLogP value of 3.6584 indicates that CDS1_003843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003843. Following Lipinski's Rule of Five, CDS1_003843 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 CDS1_003843?
The CAS number of CDS1_003843 is 424807-98-7.
What is the molecular formula of CDS1_003843?
The molecular formula of CDS1_003843 is C17H17NO4S.
What is the molecular weight of CDS1_003843?
The molecular weight of CDS1_003843 is 331.09 g/mol.
Where can I buy CDS1_003843?
You can request a quote for CDS1_003843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003843?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.