BAS 03180683
TL;DR: BAS 03180683 (CAS 77867-63-1) is a chemical compound with molecular formula C14H12F3NO3 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrole-4-carboxylate
Also Known As: BAS 03180683, BIM-0018199.P001, AB00103647-01, methyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrrole-3-carboxylate, 2-Methyl-5-oxo-1-(3-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrrole-3-carboxylic
| Molecular Formula | C14H12F3NO3 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07693 |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 77867-63-1 |
|---|---|
| SMILES | CC1=C(CC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC |
| InChIKey | VEUGZJDHRADQHC-UHFFFAOYSA-N |
Product Overview
BAS 03180683 (CAS 77867-63-1), with molecular formula C14H12F3NO3 and molecular weight 299.08 g/mol. IUPAC: methyl 5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrole-4-carboxylate.
Chemical Property Profile of BAS 03180683
Property Insights of BAS 03180683
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03180683. With a topological polar surface area (TPSA) of 46.6 Ų, BAS 03180683 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03180683 has 0 hydrogen bond donor(s) and 6 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 BAS 03180683?
The CAS number of BAS 03180683 is 77867-63-1.
What is the molecular formula of BAS 03180683?
The molecular formula of BAS 03180683 is C14H12F3NO3.
What is the molecular weight of BAS 03180683?
The molecular weight of BAS 03180683 is 299.08 g/mol.
Where can I buy BAS 03180683?
You can request a quote for BAS 03180683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03180683?
Yes, KEHONG BIO provides custom synthesis services for BAS 03180683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.