RefChem:227840
TL;DR: RefChem:227840 (CAS 56071-35-3) 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.
2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride
Also Known As: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-7-methyl-N-(p-methylphenethyl)-, hydrochloride, 7-Methyl-N-(p-methylphenethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride, 5-(alpha-Methyl-beta-phenethylamino)-7-methyl-2,3,4,5-tetrahydro-1-benzoxepine hydrochloride, 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride, RefChem:227840
| Molecular Formula | C20H26ClNO |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 0.33 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1703 |
| Heavy Atoms | 23 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 56071-35-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC[NH2+]C2CCCOC3=C2C=C(C=C3)C.[Cl-] |
| InChIKey | XYRZFCAFADZBLC-UHFFFAOYSA-N |
Product Overview
RefChem:227840 (CAS 56071-35-3), with molecular formula C20H26ClNO and molecular weight 331.17 g/mol. IUPAC: 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride.
Chemical Property Profile of RefChem:227840
Property Insights of RefChem:227840
The XLogP value of 0.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227840. With a topological polar surface area (TPSA) of 25.8 Ų, RefChem:227840 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227840 has 1 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:227840?
The CAS number of RefChem:227840 is 56071-35-3.
What is the molecular formula of RefChem:227840?
The molecular formula of RefChem:227840 is C20H26ClNO.
What is the molecular weight of RefChem:227840?
The molecular weight of RefChem:227840 is 331.17 g/mol.
Where can I buy RefChem:227840?
You can request a quote for RefChem:227840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.