BIM-0038905.P001
TL;DR: BIM-0038905.P001 (CAS 330951-62-7) is a chemical compound with molecular formula C20H15BrN2O6 and molecular weight 458.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: BIM-0038905.P001, (2-bromo-4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2-bromo-4-((2,4,6-trioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-(2-BROMO-4-{[(5E)-1-(4-METHYLPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)ACETIC ACID, 2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C20H15BrN2O6 |
|---|---|
| Molecular Weight | 458.01 g/mol |
| LogP | 2.88732 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.01135 |
| Heavy Atoms | 29 |
| Complexity | 1045.437 |
Chemical Identifiers
| CAS Number | 330951-62-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Br)/C(=O)NC2=O |
Product Overview
BIM-0038905.P001 (CAS 330951-62-7), with molecular formula C20H15BrN2O6 and molecular weight 458.01 g/mol. IUPAC: 2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of BIM-0038905.P001
Property Insights of BIM-0038905.P001
The XLogP value of 2.88732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0038905.P001. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0038905.P001. Following Lipinski's Rule of Five, BIM-0038905.P001 has 2 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-0038905.P001?
The CAS number of BIM-0038905.P001 is 330951-62-7.
What is the molecular formula of BIM-0038905.P001?
The molecular formula of BIM-0038905.P001 is C20H15BrN2O6.
What is the molecular weight of BIM-0038905.P001?
The molecular weight of BIM-0038905.P001 is 458.01 g/mol.
Where can I buy BIM-0038905.P001?
You can request a quote for BIM-0038905.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038905.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038905.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.