2-丁基-1,3-丙二醇二氨基甲酸酯
TL;DR: 2-丁基-1,3-丙二醇二氨基甲酸酯 (CAS 25451-12-1) 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-丁基-1,3-丙二醇二氨基甲酸酯
2-(carbamoyloxymethyl)hexyl carbamate
Also Known As: 1,3-Propanediol, 2-butyl-, dicarbamate, 2-Butyl-1,3-propanediol dicarbamate, 2-(carbamoyloxymethyl)hexyl carbamate, Dicarbamic acid 2-butyltrimethylene ester, 2-[(CARBAMOYLOXY)METHYL]HEXYL CARBAMATE
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 25451-12-1 |
|---|---|
| SMILES | CCCCC(COC(=O)N)COC(=O)N |
| InChIKey | XYVDBMJJKIAKIK-UHFFFAOYSA-N |
Product Overview
2-丁基-1,3-丙二醇二氨基甲酸酯 (CAS 25451-12-1), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: 2-(carbamoyloxymethyl)hexyl carbamate.
Chemical Property Profile of 2-丁基-1,3-丙二醇二氨基甲酸酯
Property Insights of 2-丁基-1,3-丙二醇二氨基甲酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁基-1,3-丙二醇二氨基甲酸酯. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-丁基-1,3-丙二醇二氨基甲酸酯. Following Lipinski's Rule of Five, 2-丁基-1,3-丙二醇二氨基甲酸酯 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-丁基-1,3-丙二醇二氨基甲酸酯?
The CAS number of 2-丁基-1,3-丙二醇二氨基甲酸酯 is 25451-12-1.
What is the molecular formula of 2-丁基-1,3-丙二醇二氨基甲酸酯?
The molecular formula of 2-丁基-1,3-丙二醇二氨基甲酸酯 is C9H18N2O4.
What is the molecular weight of 2-丁基-1,3-丙二醇二氨基甲酸酯?
The molecular weight of 2-丁基-1,3-丙二醇二氨基甲酸酯 is 218.13 g/mol.
Where can I buy 2-丁基-1,3-丙二醇二氨基甲酸酯?
You can request a quote for 2-丁基-1,3-丙二醇二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁基-1,3-丙二醇二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丁基-1,3-丙二醇二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.