BI-RG-587 analog
TL;DR: BI-RG-587 analog (CAS 133626-57-0) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetate
Also Known As: BI-RG-587 analog, 6H-Pyrido(2,3-b)(1,5)benzodiazepine-6-acetic acid, 1,5-dihydro-5-oxo-, 1,1-dimethylethyl ester, tert-butyl 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetate, N6-((2-Oxoethyl)t-butoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one, 5,11-Dihydro-5-oxo-6H-pyrido[2,3-b][1,5]benzodiazepine-6-acetic acid tert-butyl ester
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 133626-57-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3 |
| InChIKey | QLAMRXRDAWDMKO-UHFFFAOYSA-N |
Product Overview
BI-RG-587 analog (CAS 133626-57-0), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: tert-butyl 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetate.
Chemical Property Profile of BI-RG-587 analog
Property Insights of BI-RG-587 analog
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BI-RG-587 analog. The TPSA of 71.5 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 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 BI-RG-587 analog?
The CAS number of BI-RG-587 analog is 133626-57-0.
What is the molecular formula of BI-RG-587 analog?
The molecular formula of BI-RG-587 analog is C18H19N3O3.
What is the molecular weight of BI-RG-587 analog?
The molecular weight of BI-RG-587 analog is 325.14 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.