2-丙基-1,3-丁二醇二氨基甲酸酯
TL;DR: 2-丙基-1,3-丁二醇二氨基甲酸酯 (CAS 63732-20-7) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙基-1,3-丁二醇二氨基甲酸酯
2-(1-carbamoyloxyethyl)pentyl carbamate
Also Known As: 2-Propyl-1,3-butanediol dicarbamate, 2-(1-carbamoyloxyethyl)pentyl carbamate, 1,3-BUTANEDIOL, 2-PROPYL-, DICARBAMATE, 3-[(carbamoyloxy)methyl]hexan-2-yl carbamate, RefChem:1052749
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 63732-20-7 |
|---|---|
| SMILES | CCCC(COC(=O)N)C(C)OC(=O)N |
| InChIKey | YXGDVAFWTHMZRW-UHFFFAOYSA-N |
Product Overview
2-丙基-1,3-丁二醇二氨基甲酸酯 (CAS 63732-20-7), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: 2-(1-carbamoyloxyethyl)pentyl carbamate.
Chemical Property Profile of 2-丙基-1,3-丁二醇二氨基甲酸酯
Property Insights of 2-丙基-1,3-丁二醇二氨基甲酸酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丙基-1,3-丁二醇二氨基甲酸酯. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-丙基-1,3-丁二醇二氨基甲酸酯. Following Lipinski's Rule of Five, 2-丙基-1,3-丁二醇二氨基甲酸酯 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 2-丙基-1,3-丁二醇二氨基甲酸酯?
The CAS number of 2-丙基-1,3-丁二醇二氨基甲酸酯 is 63732-20-7.
What is the molecular formula of 2-丙基-1,3-丁二醇二氨基甲酸酯?
The molecular formula of 2-丙基-1,3-丁二醇二氨基甲酸酯 is C9H18N2O4.
What is the molecular weight of 2-丙基-1,3-丁二醇二氨基甲酸酯?
The molecular weight of 2-丙基-1,3-丁二醇二氨基甲酸酯 is 218.13 g/mol.
Where can I buy 2-丙基-1,3-丁二醇二氨基甲酸酯?
You can request a quote for 2-丙基-1,3-丁二醇二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙基-1,3-丁二醇二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丙基-1,3-丁二醇二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.