CompB
TL;DR: CompB (CAS 217461-40-0) is a chemical compound with molecular formula C24H37N3O2 and molecular weight 399.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
Also Known As: CompB, J-113397, J-113,397, EX-A15238, (+)-J-113397
| Molecular Formula | C24H37N3O2 |
|---|---|
| Molecular Weight | 399.29 g/mol |
| LogP | 4.0387 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.28857 |
| Heavy Atoms | 29 |
| Complexity | 847.4181 |
Chemical Identifiers
| CAS Number | 217461-40-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCC4 |
Product Overview
CompB (CAS 217461-40-0), with molecular formula C24H37N3O2 and molecular weight 399.29 g/mol. IUPAC: 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one.
Chemical Property Profile of CompB
Property Insights of CompB
The XLogP value of 4.0387 indicates that CompB is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, CompB exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CompB has 1 hydrogen bond donor(s) and 3 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 CompB?
The CAS number of CompB is 217461-40-0.
What is the molecular formula of CompB?
The molecular formula of CompB is C24H37N3O2.
What is the molecular weight of CompB?
The molecular weight of CompB is 399.29 g/mol.
Where can I buy CompB?
You can request a quote for CompB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CompB?
Yes, KEHONG BIO provides custom synthesis services for CompB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.