Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester
TL;DR: Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester (CAS 64059-09-2) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-methylphenoxy)-3-propan-2-yloxypropan-2-yl] carbamate
Also Known As: 1-Isopropoxy-3-(o-tolyloxy)-2-propanol carbamate, 2-Propanol, 1-isopropoxy-3-(o-tolyloxy)-, carbamate, 4-06-00-01955 (Beilstein Handbook Reference), CARBAMIC ACID, (2-ISOPROPOXY-1-(o-TOLYLOXY)METHYLETHYL) ESTER, [1-(2-methylphenoxy)-3-propan-2-yloxypropan-2-yl] carbamate
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 64059-09-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(C)C)OC(=O)N |
| InChIKey | DZJTUNPUCLMFDQ-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester (CAS 64059-09-2), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: [1-(2-methylphenoxy)-3-propan-2-yloxypropan-2-yl] carbamate.
Chemical Property Profile of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester
Property Insights of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester. Following Lipinski's Rule of Five, Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester has 1 hydrogen bond donor(s) and 4 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 Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester?
The CAS number of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester is 64059-09-2.
What is the molecular formula of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester?
The molecular formula of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester is C14H21NO4.
What is the molecular weight of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester?
The molecular weight of Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester is 267.15 g/mol.
Where can I buy Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester?
You can request a quote for Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.