A3739/0158409
TL;DR: A3739/0158409 (CAS 956574-48-4) is a chemical compound with molecular formula C19H24Cl2N2O and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(2,4-dichlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: A3739/0158409, 5-butyl-2-(2,4-dichlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1R,3S,5r,7s)-5-butyl-2-(2,4-dichlorophenyl)-7-methyl-1,3-diazaadamantan-6-one
| Molecular Formula | C19H24Cl2N2O |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 4.3888 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.12656 |
| Heavy Atoms | 24 |
| Complexity | 673.9444 |
Chemical Identifiers
| CAS Number | 956574-48-4 |
|---|---|
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
A3739/0158409 (CAS 956574-48-4), with molecular formula C19H24Cl2N2O and molecular weight 366.13 g/mol. IUPAC: 5-butyl-2-(2,4-dichlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of A3739/0158409
Property Insights of A3739/0158409
The XLogP value of 4.3888 indicates that A3739/0158409 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, A3739/0158409 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3739/0158409 has 0 hydrogen bond donor(s) and 3 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 A3739/0158409?
The CAS number of A3739/0158409 is 956574-48-4.
What is the molecular formula of A3739/0158409?
The molecular formula of A3739/0158409 is C19H24Cl2N2O.
What is the molecular weight of A3739/0158409?
The molecular weight of A3739/0158409 is 366.13 g/mol.
Where can I buy A3739/0158409?
You can request a quote for A3739/0158409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3739/0158409?
Yes, KEHONG BIO provides custom synthesis services for A3739/0158409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.