BIM-0031855.P001
TL;DR: BIM-0031855.P001 (CAS 6131-58-4) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
Also Known As: BIM-0031855.P001, 5-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid, 4-(N-{4-[(1E)-2-(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)-1-methyl-2-aza vinyl]phenyl}carbamoyl)butanoic acid, 5-(4-{(1E)-1-[2-(2H-1,3-Benzodioxole-5-carbonyl)hydrazinylidene]ethyl}anilino)-5-oxopentanoic acid, 5-[(4-{(1E)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinylidene]ethyl}phenyl)amino]-5-oxopentanoic acid
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.7627 |
| Topological Polar Surface Area | 126.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 984.73627 |
Chemical Identifiers
| CAS Number | 6131-58-4 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CC=C(C=C3)NC(=O)CCCC(=O)O |
Product Overview
BIM-0031855.P001 (CAS 6131-58-4), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: 5-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid.
Chemical Property Profile of BIM-0031855.P001
Property Insights of BIM-0031855.P001
The XLogP value of 2.7627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0031855.P001. The TPSA of 126.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0031855.P001. Following Lipinski's Rule of Five, BIM-0031855.P001 has 3 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 BIM-0031855.P001?
The CAS number of BIM-0031855.P001 is 6131-58-4.
What is the molecular formula of BIM-0031855.P001?
The molecular formula of BIM-0031855.P001 is C21H21N3O6.
What is the molecular weight of BIM-0031855.P001?
The molecular weight of BIM-0031855.P001 is 411.14 g/mol.
Where can I buy BIM-0031855.P001?
You can request a quote for BIM-0031855.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0031855.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0031855.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.