RefChem:227843
TL;DR: RefChem:227843 (CAS 37479-96-2) is a chemical compound with molecular formula C15H23Cl2NO2 and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium chloride
Also Known As: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-, hydrochloride, 2,3,4,5-Tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-1-benzoxepin-5-ol hydrochloride, 5-(3-Dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochloride, 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium chloride, RefChem:227843
| Molecular Formula | C15H23Cl2NO2 |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | -1.37 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1106 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 37479-96-2 |
|---|---|
| SMILES | C[NH+](C)CCCC1(CCCOC2=C1C=CC(=C2)Cl)O.[Cl-] |
| InChIKey | TVXJULSIMXKQDM-UHFFFAOYSA-N |
Product Overview
RefChem:227843 (CAS 37479-96-2), with molecular formula C15H23Cl2NO2 and molecular weight 319.11 g/mol. IUPAC: 3-(8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepin-5-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:227843
Property Insights of RefChem:227843
The XLogP value of -1.37 indicates that RefChem:227843 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, RefChem:227843 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227843 has 2 hydrogen bond donor(s) and 3 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:227843?
The CAS number of RefChem:227843 is 37479-96-2.
What is the molecular formula of RefChem:227843?
The molecular formula of RefChem:227843 is C15H23Cl2NO2.
What is the molecular weight of RefChem:227843?
The molecular weight of RefChem:227843 is 319.11 g/mol.
Where can I buy RefChem:227843?
You can request a quote for RefChem:227843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227843?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.