BIM-0042299.P001
TL;DR: BIM-0042299.P001 (CAS 374597-21-4) is a chemical compound with molecular formula C21H15N5O7 and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-5-methyl-1-phenylpyrrole-2-carboxylate
Also Known As: BIM-0042299.P001, methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-5-methyl-1-phenylpyrrole-2-carboxylate, methyl 4-cyano-3-(3,5-dinitrobenzamido)-5-methyl-1-phenyl-1H-pyrrole-2-carboxylate, methyl 4-cyano-3-{[(3,5-dinitrophenyl)carbonyl]amino}-5-methyl-1-phenyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C21H15N5O7 |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 3.5127 |
| Topological Polar Surface Area | 170.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.09714 |
| Heavy Atoms | 33 |
| Complexity | 1307.0188 |
Chemical Identifiers
| CAS Number | 374597-21-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)OC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C#N |
Product Overview
BIM-0042299.P001 (CAS 374597-21-4), with molecular formula C21H15N5O7 and molecular weight 449.10 g/mol. IUPAC: methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-5-methyl-1-phenylpyrrole-2-carboxylate.
Chemical Property Profile of BIM-0042299.P001
Property Insights of BIM-0042299.P001
The XLogP value of 3.5127 indicates that BIM-0042299.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.4 Ų indicates high polarity, suggesting BIM-0042299.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0042299.P001 has 1 hydrogen bond donor(s) and 8 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-0042299.P001?
The CAS number of BIM-0042299.P001 is 374597-21-4.
What is the molecular formula of BIM-0042299.P001?
The molecular formula of BIM-0042299.P001 is C21H15N5O7.
What is the molecular weight of BIM-0042299.P001?
The molecular weight of BIM-0042299.P001 is 449.10 g/mol.
Where can I buy BIM-0042299.P001?
You can request a quote for BIM-0042299.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042299.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042299.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.