RefChem:305364
TL;DR: RefChem:305364 (CAS 42882-72-4) is a chemical compound with molecular formula C20H26ClNO and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride
Also Known As: 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((phenylmethyl)amino)methyl)-, dihydrochloride, 6,7,8,9-Tetrahydro-alpha-(((phenylmethyl)amino)methyl)-5H-benzocycloheptene-2-methanol 2HCl, 5H-BENZOCYCLOHEPTENE-2-METHANOL, 6,7,8,9-TETRAHYDRO-alpha-(((PHENYLMETHYL)AMINO), benzyl-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride, RefChem:305364
| Molecular Formula | C20H26ClNO |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | -0.24 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1703 |
| Heavy Atoms | 23 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 42882-72-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)C(C[NH2+]CC3=CC=CC=C3)O.[Cl-] |
| InChIKey | BYWKFQFPZOQQFL-UHFFFAOYSA-N |
Product Overview
RefChem:305364 (CAS 42882-72-4), with molecular formula C20H26ClNO and molecular weight 331.17 g/mol. IUPAC: benzyl-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:305364
Property Insights of RefChem:305364
The XLogP value of -0.24 indicates that RefChem:305364 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.8 Ų, RefChem:305364 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305364 has 2 hydrogen bond donor(s) and 2 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:305364?
The CAS number of RefChem:305364 is 42882-72-4.
What is the molecular formula of RefChem:305364?
The molecular formula of RefChem:305364 is C20H26ClNO.
What is the molecular weight of RefChem:305364?
The molecular weight of RefChem:305364 is 331.17 g/mol.
Where can I buy RefChem:305364?
You can request a quote for RefChem:305364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305364?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.