2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate
TL;DR: 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate (CAS 31730-50-4) is a chemical compound with molecular formula C13H14ClNO4 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-chlorophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Also Known As: KST-1B3011, 1-(3-Chlorophenoxy)-3-(2-propynyloxy)-2-propanol carbamate, 1-Propargyl-2-carbamoyl glycerol 3-(3-chlorophenyl) ether, 1-(3-chlorophenoxy)-3-(prop-2-yn-1-yloxy)propan-2-yl carbamate, 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate
| Molecular Formula | C13H14ClNO4 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.06113 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 31730-50-4 |
|---|---|
| SMILES | C#CCOCC(COC1=CC(=CC=C1)Cl)OC(=O)N |
| InChIKey | UOFHYYHPPXSOSB-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate (CAS 31730-50-4), with molecular formula C13H14ClNO4 and molecular weight 283.06 g/mol. IUPAC: [1-(3-chlorophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate.
Chemical Property Profile of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate
Property Insights of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate. Following Lipinski's Rule of Five, 2-Propanol, 1-(3-chlorophenoxy)-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-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate?
The CAS number of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate is 31730-50-4.
What is the molecular formula of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate?
The molecular formula of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate is C13H14ClNO4.
What is the molecular weight of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate?
The molecular weight of 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate is 283.06 g/mol.
Where can I buy 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate?
You can request a quote for 2-Propanol, 1-(3-chlorophenoxy)-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-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-(3-chlorophenoxy)-3-(2-propynyloxy)-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.