A3642/0154585
TL;DR: A3642/0154585 (CAS 956050-41-2) is a chemical compound with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: A3642/0154585, 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (5s,7s)-5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazaadamantan-6-one, Tricyclo[3.3.1.1(3,7)]decan-6-one, 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diaza-
| Molecular Formula | C21H30N2O3 |
|---|---|
| Molecular Weight | 358.23 g/mol |
| LogP | 3.0992 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.22565 |
| Heavy Atoms | 26 |
| Complexity | 701.20776 |
Chemical Identifiers
| CAS Number | 956050-41-2 |
|---|---|
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OC)OC)C |
Product Overview
A3642/0154585 (CAS 956050-41-2), with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol. IUPAC: 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of A3642/0154585
Property Insights of A3642/0154585
The XLogP value of 3.0992 indicates that A3642/0154585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, A3642/0154585 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3642/0154585 has 0 hydrogen bond donor(s) and 5 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 A3642/0154585?
The CAS number of A3642/0154585 is 956050-41-2.
What is the molecular formula of A3642/0154585?
The molecular formula of A3642/0154585 is C21H30N2O3.
What is the molecular weight of A3642/0154585?
The molecular weight of A3642/0154585 is 358.23 g/mol.
Where can I buy A3642/0154585?
You can request a quote for A3642/0154585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3642/0154585?
Yes, KEHONG BIO provides custom synthesis services for A3642/0154585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.