RefChem:72267
TL;DR: RefChem:72267 (CAS 79866-29-8) is a chemical compound with molecular formula C9H17ClN4O and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)oxirane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: Hexamethylenetetramine, compd. with 1-chloro-2,3-epoxypropane, Epichlorohydrin, hexamethyltetramine reaction product, Hexamethylenetetramine, compound with 1-chloro-2,3-epoxypropane, 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, compd. with 2-(chloromethyl)oxirane (1:?), 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, compd. with (chloromethyl)oxirane
| Molecular Formula | C9H17ClN4O |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | -0.3958 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.10909 |
| Heavy Atoms | 15 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 79866-29-8 |
|---|---|
| SMILES | C1C(O1)CCl.C1N2CN3CN1CN(C2)C3 |
| InChIKey | UCRVARONSIRYNE-UHFFFAOYSA-N |
Product Overview
RefChem:72267 (CAS 79866-29-8), with molecular formula C9H17ClN4O and molecular weight 232.11 g/mol. IUPAC: 2-(chloromethyl)oxirane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of RefChem:72267
Property Insights of RefChem:72267
The XLogP value of -0.3958 indicates that RefChem:72267 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.5 Ų, RefChem:72267 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:72267 has 0 hydrogen bond donor(s) and 5 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:72267?
The CAS number of RefChem:72267 is 79866-29-8.
What is the molecular formula of RefChem:72267?
The molecular formula of RefChem:72267 is C9H17ClN4O.
What is the molecular weight of RefChem:72267?
The molecular weight of RefChem:72267 is 232.11 g/mol.
Where can I buy RefChem:72267?
You can request a quote for RefChem:72267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.