1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate
TL;DR: 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate (CAS 12712-28-6) is a chemical compound with molecular formula C5H12Cl2O6S and molecular weight 269.97318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(chloromethyl)propane-1,3-diol;sulfuric acid
Also Known As: Phosphodoxin, Philips 2605, 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate, CL 2734, 2,2-bis(chloromethyl)propane-1,3-diol;sulfuric acid
Technical Specifications
| Molecular Formula | C5H12Cl2O6S |
| Molecular Weight | 269.97318 g/mol |
| XLogP | -0.22 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.97318 Da |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
| SMILES | C(C(CO)(CCl)CCl)O.OS(=O)(=O)O |
| InChIKey | HROJKPIFOUEBIR-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate
Property Insights of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate
The XLogP value of -0.22 indicates that 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate 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
What is the CAS number of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate?
The CAS number of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate is 12712-28-6.
What is the molecular formula of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate?
The molecular formula of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate is C5H12Cl2O6S.
What is the molecular weight of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate?
The molecular weight of 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate is 269.97318 g/mol.
Where can I buy 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate?
You can request a quote for 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.