Hexan-3-yl carbamate
TL;DR: Hexan-3-yl carbamate (CAS 70181-38-3) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-3-yl carbamate
Also Known As: hexan-3-yl carbamate
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 70181-38-3 |
|---|---|
| SMILES | CCCC(CC)OC(=O)N |
| InChIKey | GUMWTWBEQCYCCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexan-3-yl carbamate (CAS 70181-38-3), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: hexan-3-yl carbamate.
Chemical Property Profile of Hexan-3-yl carbamate
Property Insights of Hexan-3-yl carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexan-3-yl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Hexan-3-yl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexan-3-yl 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 Hexan-3-yl carbamate?
The CAS number of Hexan-3-yl carbamate is 70181-38-3.
What is the molecular formula of Hexan-3-yl carbamate?
The molecular formula of Hexan-3-yl carbamate is C7H15NO2.
What is the molecular weight of Hexan-3-yl carbamate?
The molecular weight of Hexan-3-yl carbamate is 145.11 g/mol.
Where can I buy Hexan-3-yl carbamate?
You can request a quote for Hexan-3-yl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexan-3-yl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Hexan-3-yl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.