3,7-dimethyloct-6-enyl N-phenylcarbamate
TL;DR: 3,7-dimethyloct-6-enyl N-phenylcarbamate (CAS 16930-36-2) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl N-phenylcarbamate
Also Known As: citronellyl N-phenylcarbamate, 3,7-dimethyloct-6-enyl N-phenylcarbamate, 3,7-Dimethyloct-6-en-1-yl phenylcarbamate, 6-Octen-1-ol,3,7-dimethyl-, 1-(n-phenylcarbamate), RefChem:272621
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 16930-36-2 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOC(=O)NC1=CC=CC=C1 |
| InChIKey | JOIZZGCSCGBVKP-UHFFFAOYSA-N |
Product Overview
3,7-dimethyloct-6-enyl N-phenylcarbamate (CAS 16930-36-2), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 3,7-dimethyloct-6-enyl N-phenylcarbamate.
Chemical Property Profile of 3,7-dimethyloct-6-enyl N-phenylcarbamate
Property Insights of 3,7-dimethyloct-6-enyl N-phenylcarbamate
The XLogP value of 5.6 indicates that 3,7-dimethyloct-6-enyl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3,7-dimethyloct-6-enyl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-dimethyloct-6-enyl N-phenylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-dimethyloct-6-enyl N-phenylcarbamate?
The CAS number of 3,7-dimethyloct-6-enyl N-phenylcarbamate is 16930-36-2.
What is the molecular formula of 3,7-dimethyloct-6-enyl N-phenylcarbamate?
The molecular formula of 3,7-dimethyloct-6-enyl N-phenylcarbamate is C17H25NO2.
What is the molecular weight of 3,7-dimethyloct-6-enyl N-phenylcarbamate?
The molecular weight of 3,7-dimethyloct-6-enyl N-phenylcarbamate is 275.19 g/mol.
Where can I buy 3,7-dimethyloct-6-enyl N-phenylcarbamate?
You can request a quote for 3,7-dimethyloct-6-enyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dimethyloct-6-enyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dimethyloct-6-enyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.