HB3PUQ8C4S
TL;DR: HB3PUQ8C4S (CAS 27114-41-6) is a chemical compound with molecular formula C20H27ClN2 and molecular weight 330.18628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dimethylphenyl)-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)ethanamine;hydrochloride
Also Known As: C(NCCc1ccc(C)c(C)c1)C2CCc3ccccc3N2, Quinoline, 1,2,3,4-tetrahydro-2-((3,4-dimethylphenethylamino)methyl)-, hydrochloride, Quinoline, 1,2,3,4-tetrahydro-2-((2-(3,4-xylyl)ethyl)amino)methyl-, hydrochloride, 2-(3,4-dimethylphenyl)-N-(1,2,3,4-tetrahydroquinolin-2-ylmet, Quinoline, 2-(((3,4-dimethylphenethyl)amino)methyl)-1,2,3,4-tetrahydro-, monohydrochloride
Technical Specifications
| Molecular Formula | C20H27ClN2 |
| Molecular Weight | 330.18628 g/mol |
| XLogP | 4.28 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.18628 Da |
| Heavy Atoms | 23 |
| Complexity | 330.0 |
| SMILES | CC1=C(C=C(C=C1)CCNCC2CCC3=CC=CC=C3N2)C.Cl |
| InChIKey | ZCQGVMCLCWQOPN-UHFFFAOYSA-N |
Chemical Property Profile of HB3PUQ8C4S
Property Insights of HB3PUQ8C4S
The XLogP value of 4.28 indicates that HB3PUQ8C4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, HB3PUQ8C4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, HB3PUQ8C4S has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of HB3PUQ8C4S?
The CAS number of HB3PUQ8C4S is 27114-41-6.
What is the molecular formula of HB3PUQ8C4S?
The molecular formula of HB3PUQ8C4S is C20H27ClN2.
What is the molecular weight of HB3PUQ8C4S?
The molecular weight of HB3PUQ8C4S is 330.18628 g/mol.
Where can I buy HB3PUQ8C4S?
You can request a quote for HB3PUQ8C4S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for HB3PUQ8C4S?
Yes, CoreyChem provides custom synthesis services for HB3PUQ8C4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.