CID 110533
TL;DR: CID 110533 (CAS 68555-29-3) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-phenylhex-3-enenitrile
Also Known As: 4-Methyl-6-phenylhex-3-enenitrile, 3-Hexenenitrile, 4-methyl-6-phenyl-
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 68555-29-3 |
|---|---|
| SMILES | CC(=CCC#N)CCC1=CC=CC=C1 |
| InChIKey | XVXZMGMMEQKDRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 110533 (CAS 68555-29-3), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 4-methyl-6-phenylhex-3-enenitrile.
Chemical Property Profile of CID 110533
Property Insights of CID 110533
The XLogP value of 3.4 indicates that CID 110533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, CID 110533 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 110533 has 0 hydrogen bond donor(s) and 1 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 CID 110533?
The CAS number of CID 110533 is 68555-29-3.
What is the molecular formula of CID 110533?
The molecular formula of CID 110533 is C13H15N.
What is the molecular weight of CID 110533?
The molecular weight of CID 110533 is 185.12 g/mol.
Where can I buy CID 110533?
You can request a quote for CID 110533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 110533?
Yes, KEHONG BIO provides custom synthesis services for CID 110533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.