1-Chloro-7-phenylheptane
TL;DR: 1-Chloro-7-phenylheptane (CAS 54636-29-2) is a chemical compound with molecular formula C13H19Cl and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloroheptylbenzene
Also Known As: 1-Chloro-7-phenylheptane, 7-chloroheptylbenzene, (7-Chloroheptyl)benzene, 7-Phenylheptyl chloride, 7-Phenyl-1-heptyl chloride
| Molecular Formula | C13H19Cl |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.11752 |
| Heavy Atoms | 14 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 54636-29-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCCCCl |
| InChIKey | PNUBJDFTMKBZJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-7-phenylheptane (CAS 54636-29-2), with molecular formula C13H19Cl and molecular weight 210.12 g/mol. IUPAC: 7-chloroheptylbenzene.
Chemical Property Profile of 1-Chloro-7-phenylheptane
Property Insights of 1-Chloro-7-phenylheptane
The XLogP value of 5.7 indicates that 1-Chloro-7-phenylheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-7-phenylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-7-phenylheptane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-7-phenylheptane?
The CAS number of 1-Chloro-7-phenylheptane is 54636-29-2.
What is the molecular formula of 1-Chloro-7-phenylheptane?
The molecular formula of 1-Chloro-7-phenylheptane is C13H19Cl.
What is the molecular weight of 1-Chloro-7-phenylheptane?
The molecular weight of 1-Chloro-7-phenylheptane is 210.12 g/mol.
Where can I buy 1-Chloro-7-phenylheptane?
You can request a quote for 1-Chloro-7-phenylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-7-phenylheptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-7-phenylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.