1,4-丁二醇-1,4-二氨基甲酸酯
TL;DR: 1,4-丁二醇-1,4-二氨基甲酸酯 (CAS 7119-55-3) is a chemical compound with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-丁二醇-1,4-二氨基甲酸酯
4-carbamoyloxybutyl carbamate
Also Known As: Butane-1,4-diyl dicarbamate, 1, dicarbamate, 1,4-Butandiurethan, 1,4-BUTANEDIOL, DICARBAMATE, butane-1,4-diyldicarbamate
| Molecular Formula | C6H12N2O4 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.07971 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 7119-55-3 |
|---|---|
| SMILES | C(CCOC(=O)N)COC(=O)N |
| InChIKey | ONWSHWFYPNZPAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-丁二醇-1,4-二氨基甲酸酯 (CAS 7119-55-3), with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol. IUPAC: 4-carbamoyloxybutyl carbamate.
Chemical Property Profile of 1,4-丁二醇-1,4-二氨基甲酸酯
Property Insights of 1,4-丁二醇-1,4-二氨基甲酸酯
The XLogP value of -0.4 indicates that 1,4-丁二醇-1,4-二氨基甲酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-丁二醇-1,4-二氨基甲酸酯. Following Lipinski's Rule of Five, 1,4-丁二醇-1,4-二氨基甲酸酯 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 1,4-丁二醇-1,4-二氨基甲酸酯?
The CAS number of 1,4-丁二醇-1,4-二氨基甲酸酯 is 7119-55-3.
What is the molecular formula of 1,4-丁二醇-1,4-二氨基甲酸酯?
The molecular formula of 1,4-丁二醇-1,4-二氨基甲酸酯 is C6H12N2O4.
What is the molecular weight of 1,4-丁二醇-1,4-二氨基甲酸酯?
The molecular weight of 1,4-丁二醇-1,4-二氨基甲酸酯 is 176.08 g/mol.
Where can I buy 1,4-丁二醇-1,4-二氨基甲酸酯?
You can request a quote for 1,4-丁二醇-1,4-二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-丁二醇-1,4-二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-丁二醇-1,4-二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.