BIM-0038612.P001
TL;DR: BIM-0038612.P001 (CAS 5949-83-7) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: BIM-0038612.P001, METHYL 3-{(Z)-1-[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-1-ETHYL-5-METHYL-2-OXO-1,2-DIHYDRO-3H-PYRROLE-4-CARBOXYLATE, methyl 4-[4-(dimethylamino)benzylidene]-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(4-dimethylaminophenyl)methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 2.4451 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 684.7232 |
Chemical Identifiers
| CAS Number | 5949-83-7 |
|---|---|
| SMILES | CCN1C(=C(/C(=C/C2=CC=C(C=C2)N(C)C)/C1=O)C(=O)OC)C |
Product Overview
BIM-0038612.P001 (CAS 5949-83-7), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: methyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of BIM-0038612.P001
Property Insights of BIM-0038612.P001
The XLogP value of 2.4451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0038612.P001. With a topological polar surface area (TPSA) of 49.85 Ų, BIM-0038612.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0038612.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-0038612.P001?
The CAS number of BIM-0038612.P001 is 5949-83-7.
What is the molecular formula of BIM-0038612.P001?
The molecular formula of BIM-0038612.P001 is C18H22N2O3.
What is the molecular weight of BIM-0038612.P001?
The molecular weight of BIM-0038612.P001 is 314.16 g/mol.
Where can I buy BIM-0038612.P001?
You can request a quote for BIM-0038612.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038612.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038612.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.