RefChem:370447
TL;DR: RefChem:370447 (CAS 134576-33-3) is a chemical compound with molecular formula C8H18ClN4O3P and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethylphosphonic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: 2-Chloroethylphosphonic acid hexamethylenetetramine salt, Phosphonic acid, (2-chloroethyl)-, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane(1:1), 1,3,5,7-Tetraazaadamantane (2-chloroethyl)phosphonate, 2-chloroethylphosphonic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane, (2-Chloroethyl)phosphonic acid--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)
| Molecular Formula | C8H18ClN4O3P |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | -0.6169 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0805 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 134576-33-3 |
|---|---|
| SMILES | C1N2CN3CN1CN(C2)C3.C(CCl)P(=O)(O)O |
| InChIKey | JOVLMUFEYHPTLF-UHFFFAOYSA-N |
Product Overview
RefChem:370447 (CAS 134576-33-3), with molecular formula C8H18ClN4O3P and molecular weight 284.08 g/mol. IUPAC: 2-chloroethylphosphonic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of RefChem:370447
Property Insights of RefChem:370447
The XLogP value of -0.6169 indicates that RefChem:370447 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:370447. Following Lipinski's Rule of Five, RefChem:370447 has 2 hydrogen bond donor(s) and 7 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 RefChem:370447?
The CAS number of RefChem:370447 is 134576-33-3.
What is the molecular formula of RefChem:370447?
The molecular formula of RefChem:370447 is C8H18ClN4O3P.
What is the molecular weight of RefChem:370447?
The molecular weight of RefChem:370447 is 284.08 g/mol.
Where can I buy RefChem:370447?
You can request a quote for RefChem:370447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:370447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:370447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.