BIM-0038729.P001
TL;DR: BIM-0038729.P001 (CAS 330956-62-2) is a chemical compound with molecular formula C20H15FN2O7 and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: BIM-0038729.P001, (4-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid, 2-[4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid, (4-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid, (E)-2-(4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetic acid
| Molecular Formula | C20H15FN2O7 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 1.9641 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.08633 |
| Heavy Atoms | 30 |
| Complexity | 1063.3247 |
Chemical Identifiers
| CAS Number | 330956-62-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)OCC(=O)O |
Product Overview
BIM-0038729.P001 (CAS 330956-62-2), with molecular formula C20H15FN2O7 and molecular weight 414.09 g/mol. IUPAC: 2-[4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of BIM-0038729.P001
Property Insights of BIM-0038729.P001
The XLogP value of 1.9641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0038729.P001. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0038729.P001. Following Lipinski's Rule of Five, BIM-0038729.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-0038729.P001?
The CAS number of BIM-0038729.P001 is 330956-62-2.
What is the molecular formula of BIM-0038729.P001?
The molecular formula of BIM-0038729.P001 is C20H15FN2O7.
What is the molecular weight of BIM-0038729.P001?
The molecular weight of BIM-0038729.P001 is 414.09 g/mol.
Where can I buy BIM-0038729.P001?
You can request a quote for BIM-0038729.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038729.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038729.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.