BIM-0036253.P001
TL;DR: BIM-0036253.P001 (CAS 5896-33-3) is a chemical compound with molecular formula C16H19NO3S and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
Also Known As: BIM-0036253.P001, methyl 1-isobutyl-2-methyl-5-oxo-4-(2-thienylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate, A1988/0083612, methyl 5-methyl-1-(2-methylpropyl)-2-oxo-3-(2-thienylmethylene)azoline-4-carbo xylate, methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C16H19NO3S |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 3.0767 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.10855 |
| Heavy Atoms | 21 |
| Complexity | 611.47644 |
Chemical Identifiers
| CAS Number | 5896-33-3 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1CC(C)C)C(=O)OC |
Product Overview
BIM-0036253.P001 (CAS 5896-33-3), with molecular formula C16H19NO3S and molecular weight 305.11 g/mol. IUPAC: methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate.
Chemical Property Profile of BIM-0036253.P001
Property Insights of BIM-0036253.P001
The XLogP value of 3.0767 indicates that BIM-0036253.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BIM-0036253.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0036253.P001 has 0 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 BIM-0036253.P001?
The CAS number of BIM-0036253.P001 is 5896-33-3.
What is the molecular formula of BIM-0036253.P001?
The molecular formula of BIM-0036253.P001 is C16H19NO3S.
What is the molecular weight of BIM-0036253.P001?
The molecular weight of BIM-0036253.P001 is 305.11 g/mol.
Where can I buy BIM-0036253.P001?
You can request a quote for BIM-0036253.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036253.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036253.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.