IFLab1_003279
TL;DR: IFLab1_003279 (CAS 312940-84-4) is a chemical compound with molecular formula C19H19NO4S and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: IFLab1_003279, (E)-2-(3-(4-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, AE-848/37236031, F0745-0743, 2-[(2E)-3-(4-METHOXYPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
| Molecular Formula | C19H19NO4S |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 3.9856 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1035 |
| Heavy Atoms | 25 |
| Complexity | 820.69476 |
Chemical Identifiers
| CAS Number | 312940-84-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O |
Product Overview
IFLab1_003279 (CAS 312940-84-4), with molecular formula C19H19NO4S and molecular weight 357.10 g/mol. IUPAC: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of IFLab1_003279
Property Insights of IFLab1_003279
The XLogP value of 3.9856 indicates that IFLab1_003279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003279. Following Lipinski's Rule of Five, IFLab1_003279 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 IFLab1_003279?
The CAS number of IFLab1_003279 is 312940-84-4.
What is the molecular formula of IFLab1_003279?
The molecular formula of IFLab1_003279 is C19H19NO4S.
What is the molecular weight of IFLab1_003279?
The molecular weight of IFLab1_003279 is 357.10 g/mol.
Where can I buy IFLab1_003279?
You can request a quote for IFLab1_003279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003279?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.