Heptylcarbamic acid methyl ester
TL;DR: Heptylcarbamic acid methyl ester (CAS 35601-84-4) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-heptylcarbamate
Also Known As: Methyl N-heptylcarbamate, Heptylcarbamic acid methyl ester, N-Heptylcarbamic acid methyl ester, J2.412.076G
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.3128 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 115.09616 |
Chemical Identifiers
| CAS Number | 35601-84-4 |
|---|---|
| SMILES | CCCCCCCNC(=O)OC |
Product Overview
Heptylcarbamic acid methyl ester (CAS 35601-84-4), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: methyl N-heptylcarbamate.
Chemical Property Profile of Heptylcarbamic acid methyl ester
Property Insights of Heptylcarbamic acid methyl ester
The XLogP value of 2.3128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptylcarbamic acid methyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Heptylcarbamic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptylcarbamic acid methyl 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 Heptylcarbamic acid methyl ester?
The CAS number of Heptylcarbamic acid methyl ester is 35601-84-4.
What is the molecular formula of Heptylcarbamic acid methyl ester?
The molecular formula of Heptylcarbamic acid methyl ester is C9H19NO2.
What is the molecular weight of Heptylcarbamic acid methyl ester?
The molecular weight of Heptylcarbamic acid methyl ester is 173.14 g/mol.
Where can I buy Heptylcarbamic acid methyl ester?
You can request a quote for Heptylcarbamic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptylcarbamic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptylcarbamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.