CDS1_004475
TL;DR: CDS1_004475 (CAS 342596-56-9) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: CDS1_004475, BIM-0030106.P001, AF-399/12926060, ethyl 4,5-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 4.25504 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 699.2994 |
Chemical Identifiers
| CAS Number | 342596-56-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC=CS2 |
Product Overview
CDS1_004475 (CAS 342596-56-9), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CDS1_004475
Property Insights of CDS1_004475
The XLogP value of 4.25504 indicates that CDS1_004475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, CDS1_004475 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_004475 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_004475?
The CAS number of CDS1_004475 is 342596-56-9.
What is the molecular formula of CDS1_004475?
The molecular formula of CDS1_004475 is C16H17NO3S2.
What is the molecular weight of CDS1_004475?
The molecular weight of CDS1_004475 is 335.06 g/mol.
Where can I buy CDS1_004475?
You can request a quote for CDS1_004475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004475?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.