AF-399/40888160
TL;DR: AF-399/40888160 (CAS 385787-56-4) is a chemical compound with molecular formula C23H28N2O3S and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AF-399/40888160, 3-(isobutylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(2-methylpropyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(isobutylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-(2-methylpropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C23H28N2O3S |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 5.27298 |
| Topological Polar Surface Area | 64.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.18207 |
| Heavy Atoms | 29 |
| Complexity | 909.6909 |
Chemical Identifiers
| CAS Number | 385787-56-4 |
|---|---|
| SMILES | CC(C)CSC1=C(C2=C(CCCC2)C(=N1)C3=CC(=C(C(=C3)OC)OC)OC)C#N |
Product Overview
AF-399/40888160 (CAS 385787-56-4), with molecular formula C23H28N2O3S and molecular weight 412.18 g/mol. IUPAC: 3-(2-methylpropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AF-399/40888160
Property Insights of AF-399/40888160
The XLogP value of 5.27298 indicates that AF-399/40888160 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40888160. Following Lipinski's Rule of Five, AF-399/40888160 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40888160?
The CAS number of AF-399/40888160 is 385787-56-4.
What is the molecular formula of AF-399/40888160?
The molecular formula of AF-399/40888160 is C23H28N2O3S.
What is the molecular weight of AF-399/40888160?
The molecular weight of AF-399/40888160 is 412.18 g/mol.
Where can I buy AF-399/40888160?
You can request a quote for AF-399/40888160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40888160?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40888160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.