1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)
TL;DR: 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) (CAS 63834-76-4) is a chemical compound with molecular formula C14H32CaCl2O4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis(2,2-diethylpropane-1,3-diol);dichloride
Also Known As: MC 2778, 2,2-Diethyl-1,3-propanediol calcium chloride (2:1), 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1), calcium 2,2-diethylpropane-1,3-diol dichloride, calcium chloride 2,2-diethylpropane-1,3-diol(1:2:2)
| Molecular Formula | C14H32CaCl2O4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | -4.82 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.13034 |
| Heavy Atoms | 21 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 63834-76-4 |
|---|---|
| SMILES | CCC(CC)(CO)CO.CCC(CC)(CO)CO.[Cl-].[Cl-].[Ca+2] |
| InChIKey | XWNLXQLPBDJQAN-UHFFFAOYSA-L |
Product Overview
1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) (CAS 63834-76-4), with molecular formula C14H32CaCl2O4 and molecular weight 374.13 g/mol. IUPAC: calcium;bis(2,2-diethylpropane-1,3-diol);dichloride.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)
Property Insights of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)
The XLogP value of -4.82 indicates that 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1). Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) has 4 hydrogen bond donor(s) and 6 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, 2,2-diethyl-, calcium chloride (2:1)?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) is 63834-76-4.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) is C14H32CaCl2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) is 374.13 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) 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, 2,2-diethyl-, calcium chloride (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.