Carbamic acid, butyl-, heptyl ester
TL;DR: Carbamic acid, butyl-, heptyl ester (CAS 1189-45-3) is a chemical compound with molecular formula C12H25NO2 and molecular weight 215.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl N-butylcarbamate
Also Known As: Heptyl butylcarbamate, heptyl N-butylcarbamate, Carbamic acid, butyl-, heptyl ester
| Molecular Formula | C12H25NO2 |
|---|---|
| Molecular Weight | 215.19 g/mol |
| LogP | 3.4831 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 215.18852 |
| Heavy Atoms | 15 |
| Complexity | 148.55754 |
Chemical Identifiers
| CAS Number | 1189-45-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)NCCCC |
Product Overview
Carbamic acid, butyl-, heptyl ester (CAS 1189-45-3), with molecular formula C12H25NO2 and molecular weight 215.19 g/mol. IUPAC: heptyl N-butylcarbamate.
Chemical Property Profile of Carbamic acid, butyl-, heptyl ester
Property Insights of Carbamic acid, butyl-, heptyl ester
The XLogP value of 3.4831 indicates that Carbamic acid, butyl-, heptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, butyl-, heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, butyl-, heptyl ester 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 Carbamic acid, butyl-, heptyl ester?
The CAS number of Carbamic acid, butyl-, heptyl ester is 1189-45-3.
What is the molecular formula of Carbamic acid, butyl-, heptyl ester?
The molecular formula of Carbamic acid, butyl-, heptyl ester is C12H25NO2.
What is the molecular weight of Carbamic acid, butyl-, heptyl ester?
The molecular weight of Carbamic acid, butyl-, heptyl ester is 215.19 g/mol.
Where can I buy Carbamic acid, butyl-, heptyl ester?
You can request a quote for Carbamic acid, butyl-, heptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, butyl-, heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, butyl-, heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.