Heptyl carbamate
TL;DR: Heptyl carbamate (CAS 54199-19-8) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl carbamate
Also Known As: heptyl carbamate, heptylcarbamate, O-Heptyl carbamate, 1-Heptanol, carbamate, Carbamic acid, heptyl ester
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 54199-19-8 |
|---|---|
| SMILES | CCCCCCCOC(=O)N |
| InChIKey | AXMPFOXRWZXZFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl carbamate (CAS 54199-19-8), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: heptyl carbamate.
Chemical Property Profile of Heptyl carbamate
Property Insights of Heptyl carbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Heptyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl carbamate has 1 hydrogen bond donor(s) and 2 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 Heptyl carbamate?
The CAS number of Heptyl carbamate is 54199-19-8.
What is the molecular formula of Heptyl carbamate?
The molecular formula of Heptyl carbamate is C8H17NO2.
What is the molecular weight of Heptyl carbamate?
The molecular weight of Heptyl carbamate is 159.13 g/mol.
Where can I buy Heptyl carbamate?
You can request a quote for Heptyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.