BIM-0005453.P001
TL;DR: BIM-0005453.P001 (CAS 330955-83-4) is a chemical compound with molecular formula C22H14N2O6 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: BIM-0005453.P001, 4-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid, (Z)-4-(5-((2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 4-(5-{[(5Z)-2,4,6-TRIOXO-1-PHENYL-1,3-DIAZINAN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID, 4-{5-[(Z)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid
| Molecular Formula | C22H14N2O6 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 3.3112 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.08517 |
| Heavy Atoms | 30 |
| Complexity | 1191.8804 |
Chemical Identifiers
| CAS Number | 330955-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C(=O)NC2=O |
Product Overview
BIM-0005453.P001 (CAS 330955-83-4), with molecular formula C22H14N2O6 and molecular weight 402.09 g/mol. IUPAC: 4-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of BIM-0005453.P001
Property Insights of BIM-0005453.P001
The XLogP value of 3.3112 indicates that BIM-0005453.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0005453.P001. Following Lipinski's Rule of Five, BIM-0005453.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-0005453.P001?
The CAS number of BIM-0005453.P001 is 330955-83-4.
What is the molecular formula of BIM-0005453.P001?
The molecular formula of BIM-0005453.P001 is C22H14N2O6.
What is the molecular weight of BIM-0005453.P001?
The molecular weight of BIM-0005453.P001 is 402.09 g/mol.
Where can I buy BIM-0005453.P001?
You can request a quote for BIM-0005453.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0005453.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0005453.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.