BIM-0004509.P001
TL;DR: BIM-0004509.P001 (CAS 6174-39-6) is a chemical compound with molecular formula C22H16FN3O5 and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(E)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
Also Known As: BIM-0004509.P001, AB00103532-01, AN-988/14609050, methyl 2-[3-[(E)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate, methyl (3-{(E)-[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
| Molecular Formula | C22H16FN3O5 |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 2.6198 |
| Topological Polar Surface Area | 97.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.1074 |
| Heavy Atoms | 31 |
| Complexity | 1277.142 |
Chemical Identifiers
| CAS Number | 6174-39-6 |
|---|---|
| SMILES | COC(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F |
Product Overview
BIM-0004509.P001 (CAS 6174-39-6), with molecular formula C22H16FN3O5 and molecular weight 421.11 g/mol. IUPAC: methyl 2-[3-[(E)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of BIM-0004509.P001
Property Insights of BIM-0004509.P001
The XLogP value of 2.6198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0004509.P001. The TPSA of 97.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0004509.P001. Following Lipinski's Rule of Five, BIM-0004509.P001 has 1 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-0004509.P001?
The CAS number of BIM-0004509.P001 is 6174-39-6.
What is the molecular formula of BIM-0004509.P001?
The molecular formula of BIM-0004509.P001 is C22H16FN3O5.
What is the molecular weight of BIM-0004509.P001?
The molecular weight of BIM-0004509.P001 is 421.11 g/mol.
Where can I buy BIM-0004509.P001?
You can request a quote for BIM-0004509.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004509.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004509.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.