RefChem:305361
TL;DR: RefChem:305361 (CAS 51490-45-0) is a chemical compound with molecular formula C20H26ClN and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]azanium chloride
Also Known As: 5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-alpha-phenyl-, hydrochloride, N,N-Dimethyl-alpha-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)benzylamine hydrochloride, DIMETHYL-[PHENYL(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)METHYL]AZANIUM CHLORIDE, dimethyl-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]azanium chloride, RefChem:305361
| Molecular Formula | C20H26ClN |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 0.19 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.17538 |
| Heavy Atoms | 22 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 51490-45-0 |
|---|---|
| SMILES | C[NH+](C)C(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2.[Cl-] |
| InChIKey | CDLXUCPRSQYRDM-UHFFFAOYSA-N |
Product Overview
RefChem:305361 (CAS 51490-45-0), with molecular formula C20H26ClN and molecular weight 315.18 g/mol. IUPAC: dimethyl-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]azanium chloride.
Chemical Property Profile of RefChem:305361
Property Insights of RefChem:305361
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305361. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:305361 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305361 has 1 hydrogen bond donor(s) and 1 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:305361?
The CAS number of RefChem:305361 is 51490-45-0.
What is the molecular formula of RefChem:305361?
The molecular formula of RefChem:305361 is C20H26ClN.
What is the molecular weight of RefChem:305361?
The molecular weight of RefChem:305361 is 315.18 g/mol.
Where can I buy RefChem:305361?
You can request a quote for RefChem:305361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305361?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.