BIM-0005868.P001
TL;DR: BIM-0005868.P001 (CAS 374103-36-3) is a chemical compound with molecular formula C31H22N4O7 and molecular weight 562.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate
Also Known As: BIM-0005868.P001, (E)-4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-(4-nitrophenyl)acrylate, 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-(4-nitrophenyl)acrylate, 4-(1,3-dimethyl-2,4,6-trioxo-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5-b] pyridin-5-yl)phenyl (2E)-3-(4-nitrophenyl)prop-2-enoate, 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl (2E)-3-(4-nitrophenyl)prop-2-enoate
| Molecular Formula | C31H22N4O7 |
|---|---|
| Molecular Weight | 562.15 g/mol |
| LogP | 3.776 |
| Topological Polar Surface Area | 142.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 562.14886 |
| Heavy Atoms | 42 |
| Complexity | 1999.1655 |
Chemical Identifiers
| CAS Number | 374103-36-3 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)/C=C/C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C1=O)C |
Product Overview
BIM-0005868.P001 (CAS 374103-36-3), with molecular formula C31H22N4O7 and molecular weight 562.15 g/mol. IUPAC: [4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of BIM-0005868.P001
Property Insights of BIM-0005868.P001
The XLogP value of 3.776 indicates that BIM-0005868.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.54 Ų indicates high polarity, suggesting BIM-0005868.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0005868.P001 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0005868.P001?
The CAS number of BIM-0005868.P001 is 374103-36-3.
What is the molecular formula of BIM-0005868.P001?
The molecular formula of BIM-0005868.P001 is C31H22N4O7.
What is the molecular weight of BIM-0005868.P001?
The molecular weight of BIM-0005868.P001 is 562.15 g/mol.
Where can I buy BIM-0005868.P001?
You can request a quote for BIM-0005868.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0005868.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0005868.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.