2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate
TL;DR: 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate (CAS 16221-47-9) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butoxy-3-prop-2-ynoxypropan-2-yl) carbamate
Also Known As: 1-Butoxy-3-(2-propynyloxy)-2-propanol carbamate, 1-Propargyl-2-carbamoyl glycerol 3-butyl ether, (1-butoxy-3-prop-2-ynoxypropan-2-yl) carbamate, 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate, 1-Propargyloxy-3-butoxy-2-carbamoyloxy-propan
| Molecular Formula | C11H19NO4 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 229.13141 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 16221-47-9 |
|---|---|
| SMILES | CCCCOCC(COCC#C)OC(=O)N |
| InChIKey | QVHMOUMPKVLIQG-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate (CAS 16221-47-9), with molecular formula C11H19NO4 and molecular weight 229.13 g/mol. IUPAC: (1-butoxy-3-prop-2-ynoxypropan-2-yl) carbamate.
Chemical Property Profile of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate
Property Insights of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate. Following Lipinski's Rule of Five, 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate 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 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate?
The CAS number of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate is 16221-47-9.
What is the molecular formula of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate?
The molecular formula of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate is C11H19NO4.
What is the molecular weight of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate?
The molecular weight of 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate is 229.13 g/mol.
Where can I buy 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate?
You can request a quote for 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-butoxy-3-(2-propynyloxy)-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.