IFLab1_003703
TL;DR: IFLab1_003703 (CAS 477326-17-3) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate
Also Known As: IFLab1_003703, IDI1_009810, methyl 3-cyclopropaneamido-5-phenylthiophene-2-carboxylate, methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate, 3-[[cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.5502 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 674.08545 |
Chemical Identifiers
| CAS Number | 477326-17-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CC3 |
Product Overview
IFLab1_003703 (CAS 477326-17-3), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate.
Chemical Property Profile of IFLab1_003703
Property Insights of IFLab1_003703
The XLogP value of 3.5502 indicates that IFLab1_003703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, IFLab1_003703 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003703 has 1 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_003703?
The CAS number of IFLab1_003703 is 477326-17-3.
What is the molecular formula of IFLab1_003703?
The molecular formula of IFLab1_003703 is C16H15NO3S.
What is the molecular weight of IFLab1_003703?
The molecular weight of IFLab1_003703 is 301.08 g/mol.
Where can I buy IFLab1_003703?
You can request a quote for IFLab1_003703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003703?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.