(inverted exclamation markA)-J-113397
TL;DR: (inverted exclamation markA)-J-113397 (CAS 256640-46-7) 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-[(3S,4S)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
Also Known As: CompB, (S,S)-J-113397, ( inverted exclamation markA)-J-113397, J1.250.118H, (+/-)-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 | 256640-46-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCN(C[C@@H]3CO)CC4CCCCCCC4 |
Product Overview
(inverted exclamation markA)-J-113397 (CAS 256640-46-7), with molecular formula C24H37N3O2 and molecular weight 399.29 g/mol. IUPAC: 1-[(3S,4S)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one.
Chemical Property Profile of (inverted exclamation markA)-J-113397
Property Insights of (inverted exclamation markA)-J-113397
The XLogP value of 4.0387 indicates that (inverted exclamation markA)-J-113397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, (inverted exclamation markA)-J-113397 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (inverted exclamation markA)-J-113397 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 (inverted exclamation markA)-J-113397?
The CAS number of (inverted exclamation markA)-J-113397 is 256640-46-7.
What is the molecular formula of (inverted exclamation markA)-J-113397?
The molecular formula of (inverted exclamation markA)-J-113397 is C24H37N3O2.
What is the molecular weight of (inverted exclamation markA)-J-113397?
The molecular weight of (inverted exclamation markA)-J-113397 is 399.29 g/mol.
Where can I buy (inverted exclamation markA)-J-113397?
You can request a quote for (inverted exclamation markA)-J-113397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (inverted exclamation markA)-J-113397?
Yes, KEHONG BIO provides custom synthesis services for (inverted exclamation markA)-J-113397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.