10R-0322
TL;DR: 10R-0322 (CAS 439096-57-8) is a chemical compound with molecular formula C27H28N2S and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 10R-0322, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C27H28N2S |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 7.08888 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.19733 |
| Heavy Atoms | 30 |
| Complexity | 1071.0764 |
Chemical Identifiers
| CAS Number | 439096-57-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC=CC=C4)C#N |
Product Overview
10R-0322 (CAS 439096-57-8), with molecular formula C27H28N2S and molecular weight 412.20 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 10R-0322
Property Insights of 10R-0322
The XLogP value of 7.08888 indicates that 10R-0322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 10R-0322 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10R-0322 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10R-0322?
The CAS number of 10R-0322 is 439096-57-8.
What is the molecular formula of 10R-0322?
The molecular formula of 10R-0322 is C27H28N2S.
What is the molecular weight of 10R-0322?
The molecular weight of 10R-0322 is 412.20 g/mol.
Where can I buy 10R-0322?
You can request a quote for 10R-0322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10R-0322?
Yes, KEHONG BIO provides custom synthesis services for 10R-0322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.