Butane-1,3-diyl bis(hydrogen carbonimidate)
TL;DR: Butane-1,3-diyl bis(hydrogen carbonimidate) (CAS 5952-27-2) 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.
3-carbamoyloxybutyl carbamate
Also Known As: 1,3-Bis(carbamoyloxy)butane, 1,3-Butanediol dicarbamate, 3-carbamoyloxybutyl carbamate, 1,3-BUTANEDIOL, DICARBAMATE, 4-(carbamoyloxy)butan-2-yl carbamate
| Molecular Formula | C6H12N2O4 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.07971 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 5952-27-2 |
|---|---|
| SMILES | CC(CCOC(=O)N)OC(=O)N |
| InChIKey | ZNAVBUIWPSAZNF-UHFFFAOYSA-N |
Product Overview
Butane-1,3-diyl bis(hydrogen carbonimidate) (CAS 5952-27-2), with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol. IUPAC: 3-carbamoyloxybutyl carbamate.
Chemical Property Profile of Butane-1,3-diyl bis(hydrogen carbonimidate)
Property Insights of Butane-1,3-diyl bis(hydrogen carbonimidate)
The XLogP value of -0.3 indicates that Butane-1,3-diyl bis(hydrogen carbonimidate) 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 Butane-1,3-diyl bis(hydrogen carbonimidate). Following Lipinski's Rule of Five, Butane-1,3-diyl bis(hydrogen carbonimidate) 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 Butane-1,3-diyl bis(hydrogen carbonimidate)?
The CAS number of Butane-1,3-diyl bis(hydrogen carbonimidate) is 5952-27-2.
What is the molecular formula of Butane-1,3-diyl bis(hydrogen carbonimidate)?
The molecular formula of Butane-1,3-diyl bis(hydrogen carbonimidate) is C6H12N2O4.
What is the molecular weight of Butane-1,3-diyl bis(hydrogen carbonimidate)?
The molecular weight of Butane-1,3-diyl bis(hydrogen carbonimidate) is 176.08 g/mol.
Where can I buy Butane-1,3-diyl bis(hydrogen carbonimidate)?
You can request a quote for Butane-1,3-diyl bis(hydrogen carbonimidate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,3-diyl bis(hydrogen carbonimidate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,3-diyl bis(hydrogen carbonimidate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.