BIM-0039775.P001
TL;DR: BIM-0039775.P001 (CAS 313704-71-1) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-methoxy-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0039775.P001, (E)-4-((2-methoxy-4-((1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-({2-methoxy-4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid, 4-[[2-methoxy-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid, 4-({4-[(E)-(4-hydroxy-1-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
| Molecular Formula | C21H18N2O7 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 2.064 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1114 |
| Heavy Atoms | 30 |
| Complexity | 1057.5247 |
Chemical Identifiers
| CAS Number | 313704-71-1 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)/C(=O)NC1=O |
Product Overview
BIM-0039775.P001 (CAS 313704-71-1), with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol. IUPAC: 4-[[2-methoxy-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0039775.P001
Property Insights of BIM-0039775.P001
The XLogP value of 2.064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039775.P001. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039775.P001. Following Lipinski's Rule of Five, BIM-0039775.P001 has 2 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-0039775.P001?
The CAS number of BIM-0039775.P001 is 313704-71-1.
What is the molecular formula of BIM-0039775.P001?
The molecular formula of BIM-0039775.P001 is C21H18N2O7.
What is the molecular weight of BIM-0039775.P001?
The molecular weight of BIM-0039775.P001 is 410.11 g/mol.
Where can I buy BIM-0039775.P001?
You can request a quote for BIM-0039775.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039775.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039775.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.