Bibn 99
TL;DR: Bibn 99 (CAS 145301-48-0) is a chemical compound with molecular formula C31H42ClN5O3 and molecular weight 567.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide
Also Known As: Bibn 99, Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl-, N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide, N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepi, N-(3-(1-(2-(8-Chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethylpentanamide
| Molecular Formula | C31H42ClN5O3 |
|---|---|
| Molecular Weight | 567.30 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 567.2976 |
| Heavy Atoms | 40 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 145301-48-0 |
|---|---|
| SMILES | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4 |
| InChIKey | LUPAFPUKESJDMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bibn 99 (CAS 145301-48-0), with molecular formula C31H42ClN5O3 and molecular weight 567.30 g/mol. IUPAC: N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide.
Chemical Property Profile of Bibn 99
Property Insights of Bibn 99
The XLogP value of 4.5 indicates that Bibn 99 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bibn 99. Following Lipinski's Rule of Five, Bibn 99 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bibn 99?
The CAS number of Bibn 99 is 145301-48-0.
What is the molecular formula of Bibn 99?
The molecular formula of Bibn 99 is C31H42ClN5O3.
What is the molecular weight of Bibn 99?
The molecular weight of Bibn 99 is 567.30 g/mol.
Where can I buy Bibn 99?
You can request a quote for Bibn 99 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bibn 99?
Yes, KEHONG BIO provides custom synthesis services for Bibn 99 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.