RefChem:1054571
TL;DR: RefChem:1054571 (CAS 101418-09-1) is a chemical compound with molecular formula C22H27ClN2 and molecular weight 354.18628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9-benzyl-5,6,7,8-tetrahydrocarbazol-3-yl)methyl-dimethylazanium chloride
Also Known As: 9-Benzyl-6-dimethylaminomethyl-1,2,3,4-tetrahydrocarbazole hydrochloride monohydrate, Carbazole, 1,2,3,4-tetrahydro-9-benzyl-6-((dimethylamino)methyl)-, hydrochloride, hydrate, (9-Benzyl-5,6,7,8-tetrahydrocarbazol-3-yl)methyl-dimethylazaniumchloride, (9-benzyl-5,6,7,8-tetrahydrocarbazol-3-yl)methyl-dimethylazanium, (9-benzyl-5,6,7,8-tetrahydrocarbazol-3-yl)methyl-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C22H27ClN2 |
| Molecular Weight | 354.18628 g/mol |
| XLogP | 0.22 |
| Topological Polar Surface Area (TPSA) | 9.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.18628 Da |
| Heavy Atoms | 25 |
| Complexity | 401.0 |
| SMILES | C[NH+](C)CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4=CC=CC=C4.[Cl-] |
| InChIKey | OATVCCOUBBZMHH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1054571
Property Insights of RefChem:1054571
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054571. With a topological polar surface area (TPSA) of 9.4 Ų, RefChem:1054571 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054571 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
What is the CAS number of RefChem:1054571?
The CAS number of RefChem:1054571 is 101418-09-1.
What is the molecular formula of RefChem:1054571?
The molecular formula of RefChem:1054571 is C22H27ClN2.
What is the molecular weight of RefChem:1054571?
The molecular weight of RefChem:1054571 is 354.18628 g/mol.
Where can I buy RefChem:1054571?
You can request a quote for RefChem:1054571 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054571?
Yes, CoreyChem provides custom synthesis services for RefChem:1054571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.