BI-RG-587 analog
TL;DR: BI-RG-587 analog (CAS 133626-85-4) is a chemical compound with molecular formula C16H13ClF3N3O and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-11-ethyl-6-methyl-9-(trifluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one
Also Known As: BI-RG-587 analog, Pyridobenzodiazepinone deriv. 57, 7-Chloro-N11-ethyl-N6-methyl-9-trifluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one, 7-chloro-11-ethyl-6-methyl-9-(trifluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one, 7-Chloro-N11-ethyl-N6-methyl-9-trifluoromethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
| Molecular Formula | C16H13ClF3N3O |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.06992 |
| Heavy Atoms | 24 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 133626-85-4 |
|---|---|
| SMILES | CCN1C2=C(C(=CC(=C2)C(F)(F)F)Cl)N(C(=O)C3=C1N=CC=C3)C |
| InChIKey | AFCUXPVAIWIPIK-UHFFFAOYSA-N |
Product Overview
BI-RG-587 analog (CAS 133626-85-4), with molecular formula C16H13ClF3N3O and molecular weight 355.07 g/mol. IUPAC: 7-chloro-11-ethyl-6-methyl-9-(trifluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one.
Chemical Property Profile of BI-RG-587 analog
Property Insights of BI-RG-587 analog
The XLogP value of 3.8 indicates that BI-RG-587 analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, BI-RG-587 analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BI-RG-587 analog has 0 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 BI-RG-587 analog?
The CAS number of BI-RG-587 analog is 133626-85-4.
What is the molecular formula of BI-RG-587 analog?
The molecular formula of BI-RG-587 analog is C16H13ClF3N3O.
What is the molecular weight of BI-RG-587 analog?
The molecular weight of BI-RG-587 analog is 355.07 g/mol.
Where can I buy BI-RG-587 analog?
You can request a quote for BI-RG-587 analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BI-RG-587 analog?
Yes, KEHONG BIO provides custom synthesis services for BI-RG-587 analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.