BIM-0039478.P001
TL;DR: BIM-0039478.P001 (CAS 5968-98-9) is a chemical compound with molecular formula C27H22N2O8 and molecular weight 502.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-methoxy-4-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0039478.P001, (E)-4-((2-methoxy-4-((1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-[(2-methoxy-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, 4-[(2-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)methyl]benzoic acid, 4-[(2-METHOXY-4-{[(5E)-1-(4-METHOXYPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)METHYL]BENZOIC ACID
| Molecular Formula | C27H22N2O8 |
|---|---|
| Molecular Weight | 502.14 g/mol |
| LogP | 3.6474 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.1376 |
| Heavy Atoms | 37 |
| Complexity | 1394.9084 |
Chemical Identifiers
| CAS Number | 5968-98-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)/C(=O)NC2=O |
Product Overview
BIM-0039478.P001 (CAS 5968-98-9), with molecular formula C27H22N2O8 and molecular weight 502.14 g/mol. IUPAC: 4-[[2-methoxy-4-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0039478.P001
Property Insights of BIM-0039478.P001
The XLogP value of 3.6474 indicates that BIM-0039478.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039478.P001. Following Lipinski's Rule of Five, BIM-0039478.P001 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0039478.P001?
The CAS number of BIM-0039478.P001 is 5968-98-9.
What is the molecular formula of BIM-0039478.P001?
The molecular formula of BIM-0039478.P001 is C27H22N2O8.
What is the molecular weight of BIM-0039478.P001?
The molecular weight of BIM-0039478.P001 is 502.14 g/mol.
Where can I buy BIM-0039478.P001?
You can request a quote for BIM-0039478.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039478.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039478.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.