BIM-0038440.P001
TL;DR: BIM-0038440.P001 (CAS 313701-72-3) 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.
4-[[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0038440.P001, 4-({2-bromo-4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid, (E)-4-((2-bromo-4-((1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-({2-bromo-4-[(1-methyl-2,4,6-trioxo(1,3-dihydropyrimidin-5-ylidene))methyl]p henoxy}methyl)benzoic acid, 4-[(2-BROMO-4-{[(5E)-1-METHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)METHYL]BENZOIC ACID
| Molecular Formula | C20H15BrN2O6 |
|---|---|
| Molecular Weight | 458.01 g/mol |
| LogP | 2.8179 |
| 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 | 313701-72-3 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)/C(=O)NC1=O |
Product Overview
BIM-0038440.P001 (CAS 313701-72-3), with molecular formula C20H15BrN2O6 and molecular weight 458.01 g/mol. IUPAC: 4-[[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0038440.P001
Property Insights of BIM-0038440.P001
The XLogP value of 2.8179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0038440.P001. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0038440.P001. Following Lipinski's Rule of Five, BIM-0038440.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-0038440.P001?
The CAS number of BIM-0038440.P001 is 313701-72-3.
What is the molecular formula of BIM-0038440.P001?
The molecular formula of BIM-0038440.P001 is C20H15BrN2O6.
What is the molecular weight of BIM-0038440.P001?
The molecular weight of BIM-0038440.P001 is 458.01 g/mol.
Where can I buy BIM-0038440.P001?
You can request a quote for BIM-0038440.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038440.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038440.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.