11R-0253
TL;DR: 11R-0253 (CAS 691868-86-7) is a chemical compound with molecular formula C27H27ClN2S and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 11R-0253, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C27H27ClN2S |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 7.74228 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.15836 |
| Heavy Atoms | 31 |
| Complexity | 1120.3737 |
Chemical Identifiers
| CAS Number | 691868-86-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC=C(C=C4)Cl)C#N |
Product Overview
11R-0253 (CAS 691868-86-7), with molecular formula C27H27ClN2S and molecular weight 446.16 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 11R-0253
Property Insights of 11R-0253
The XLogP value of 7.74228 indicates that 11R-0253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 11R-0253 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11R-0253 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 11R-0253?
The CAS number of 11R-0253 is 691868-86-7.
What is the molecular formula of 11R-0253?
The molecular formula of 11R-0253 is C27H27ClN2S.
What is the molecular weight of 11R-0253?
The molecular weight of 11R-0253 is 446.16 g/mol.
Where can I buy 11R-0253?
You can request a quote for 11R-0253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0253?
Yes, KEHONG BIO provides custom synthesis services for 11R-0253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.