BIM-0002086.P001
TL;DR: BIM-0002086.P001 (CAS 330843-95-3) is a chemical compound with molecular formula C19H13ClN2O5 and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoate
Also Known As: BIM-0002086.P001, methyl 4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoate, methyl 4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoate, (E)-methyl 4-((1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoate, METHYL 4-{[(5E)-1-(4-CHLOROPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}BENZOATE
| Molecular Formula | C19H13ClN2O5 |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 2.793 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0513 |
| Heavy Atoms | 27 |
| Complexity | 964.5995 |
Chemical Identifiers
| CAS Number | 330843-95-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
BIM-0002086.P001 (CAS 330843-95-3), with molecular formula C19H13ClN2O5 and molecular weight 384.05 g/mol. IUPAC: methyl 4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoate.
Chemical Property Profile of BIM-0002086.P001
Property Insights of BIM-0002086.P001
The XLogP value of 2.793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0002086.P001. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0002086.P001. Following Lipinski's Rule of Five, BIM-0002086.P001 has 1 hydrogen bond donor(s) and 5 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-0002086.P001?
The CAS number of BIM-0002086.P001 is 330843-95-3.
What is the molecular formula of BIM-0002086.P001?
The molecular formula of BIM-0002086.P001 is C19H13ClN2O5.
What is the molecular weight of BIM-0002086.P001?
The molecular weight of BIM-0002086.P001 is 384.05 g/mol.
Where can I buy BIM-0002086.P001?
You can request a quote for BIM-0002086.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0002086.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0002086.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.