(1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate
TL;DR: (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate (CAS 33212-02-1) is a chemical compound with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate
Also Known As: (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate, 1-Chloro-3-[(prop-2-yn-1-yl)oxy]propan-2-yl phenylcarbamate
| Molecular Formula | C13H14ClNO3 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.06622 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 33212-02-1 |
|---|---|
| SMILES | C#CCOCC(CCl)OC(=O)NC1=CC=CC=C1 |
| InChIKey | IHYVSDJUGJITNK-UHFFFAOYSA-N |
Product Overview
(1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate (CAS 33212-02-1), with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol. IUPAC: (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate.
Chemical Property Profile of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate
Property Insights of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate. With a topological polar surface area (TPSA) of 47.6 Ų, (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate 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 (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate?
The CAS number of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate is 33212-02-1.
What is the molecular formula of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate?
The molecular formula of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate is C13H14ClNO3.
What is the molecular weight of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate?
The molecular weight of (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate is 267.07 g/mol.
Where can I buy (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate?
You can request a quote for (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1-chloro-3-prop-2-ynoxypropan-2-yl) N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.