Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)
TL;DR: Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) (CAS 3692-90-8) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-prop-2-ynoxyphenyl) N-methylcarbamate
Also Known As: Hercules 8717, 3-Propargyloxyphenyl-N-methyl-carbamate, HE 8717, ENT 25,732, NC 2219
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 3692-90-8 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)OCC#C |
| InChIKey | QEAULWXPIOSTCA-UHFFFAOYSA-N |
Product Overview
Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) (CAS 3692-90-8), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: (3-prop-2-ynoxyphenyl) N-methylcarbamate.
Chemical Property Profile of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)
Property Insights of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate). With a topological polar surface area (TPSA) of 47.6 Ų, Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) has 1 hydrogen bond donor(s) and 3 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 Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)?
The CAS number of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) is 3692-90-8.
What is the molecular formula of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)?
The molecular formula of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) is C11H11NO3.
What is the molecular weight of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)?
The molecular weight of Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) is 205.07 g/mol.
Where can I buy Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)?
You can request a quote for Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.