4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide
TL;DR: 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide (CAS 896311-05-0) is a chemical compound with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxamide
Also Known As: F2590-0236, 4,5-dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide, 4,5-dimethyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxamide, 4,5-dimethyl-2-[3-(phenylsulfanyl)propanamido]thiophene-3-carboxamide
| Molecular Formula | C16H18N2O2S2 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.58474 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.08096 |
| Heavy Atoms | 22 |
| Complexity | 680.9543 |
Chemical Identifiers
| CAS Number | 896311-05-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)CCSC2=CC=CC=C2)C |
Product Overview
4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide (CAS 896311-05-0), with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol. IUPAC: 4,5-dimethyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxamide.
Chemical Property Profile of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide
Property Insights of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide
The XLogP value of 3.58474 indicates that 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 4 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 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide?
The CAS number of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide is 896311-05-0.
What is the molecular formula of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide?
The molecular formula of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide is C16H18N2O2S2.
What is the molecular weight of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide?
The molecular weight of 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide is 334.08 g/mol.
Where can I buy 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide?
You can request a quote for 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-(3-(phenylthio)propanamido)thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.