BI-RG-587 analog
TL;DR: BI-RG-587 analog (CAS 132686-98-7) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate
Also Known As: BI-RG-587 analog, Pyridobenzodiazepinone deriv. 3, N6-Methyl-N11-((2-oxoethyl)t-butoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one, tert-butyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate, tert-Butyl (6-methyl-5-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,5]benzodiazepin-11-yl)acetate
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 132686-98-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C |
| InChIKey | NLYXSYJBSDBVBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BI-RG-587 analog (CAS 132686-98-7), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: tert-butyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate.
Chemical Property Profile of BI-RG-587 analog
Property Insights of BI-RG-587 analog
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BI-RG-587 analog. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BI-RG-587 analog. Following Lipinski's Rule of Five, BI-RG-587 analog has 0 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 BI-RG-587 analog?
The CAS number of BI-RG-587 analog is 132686-98-7.
What is the molecular formula of BI-RG-587 analog?
The molecular formula of BI-RG-587 analog is C19H21N3O3.
What is the molecular weight of BI-RG-587 analog?
The molecular weight of BI-RG-587 analog is 339.16 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.