1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate
TL;DR: 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate (CAS 25384-98-9) is a chemical compound with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2,3-dimethylbutyl] N-prop-2-ynylcarbamate
Also Known As: n- carbamicacid2-2,3-dimethylbutylester, N- carbamicacid2- -2,3-dimethylbutylester, 2-Isopropyl-2-methyl-1,3-propanediol carbamate 2-propynylcarbamate, 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate, 2-[(carbamoyloxy)methyl]-2,3-dimethylbutyl prop-2-yn-1-ylcarbamate
| Molecular Formula | C12H20N2O4 |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.1423 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 25384-98-9 |
|---|---|
| SMILES | CC(C)C(C)(COC(=O)N)COC(=O)NCC#C |
| InChIKey | OXZTXUBLTWIENJ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate (CAS 25384-98-9), with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2,3-dimethylbutyl] N-prop-2-ynylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate
Property Insights of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate has 2 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 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate?
The CAS number of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate is 25384-98-9.
What is the molecular formula of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate?
The molecular formula of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate is C12H20N2O4.
What is the molecular weight of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate?
The molecular weight of 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate is 256.14 g/mol.
Where can I buy 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate?
You can request a quote for 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-isopropyl-2-methyl-, carbamate, 2-propynylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.