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N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine
TL;DR: N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine (CAS 6436-02-8) is a chemical compound with molecular formula C14H17NS and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-9-thiabicyclo[3.3.1]non-6-en-2-amine
Also Known As: N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine, n-phenyl-9-thiabicyclo[3.3.1]non-6-en-2-amine
| Molecular Formula | C14H17NS |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10817 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 6436-02-8 |
|---|---|
| SMILES | C1CC(C2CC=CC1S2)NC3=CC=CC=C3 |
| InChIKey | HVZPBXXOVBXJSO-UHFFFAOYSA-N |
Product Overview
N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine (CAS 6436-02-8), with molecular formula C14H17NS and molecular weight 231.11 g/mol. IUPAC: N-phenyl-9-thiabicyclo[3.3.1]non-6-en-2-amine.
Chemical Property Profile of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine
Property Insights of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine
The XLogP value of 3.9 indicates that N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine 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 N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine?
The CAS number of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine is 6436-02-8.
What is the molecular formula of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine?
The molecular formula of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine is C14H17NS.
What is the molecular weight of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine?
The molecular weight of N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine is 231.11 g/mol.
Where can I buy N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine?
You can request a quote for N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-9-thiabicyclo[3.3.1]non-2-en-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.