BAS 13776129
TL;DR: BAS 13776129 (CAS 878441-67-9) is a chemical compound with molecular formula C19H26N2O3 and molecular weight 330.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxy-3-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 13776129, 2-(4-ethoxy-3-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1r,5R,7S)-2-(4-ethoxy-3-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
| Molecular Formula | C19H26N2O3 |
|---|---|
| Molecular Weight | 330.19 g/mol |
| LogP | 2.319 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.19434 |
| Heavy Atoms | 24 |
| Complexity | 647.1895 |
Chemical Identifiers
| CAS Number | 878441-67-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2N3CC4(CN2CC(C3)(C4=O)C)C)OC |
Product Overview
BAS 13776129 (CAS 878441-67-9), with molecular formula C19H26N2O3 and molecular weight 330.19 g/mol. IUPAC: 2-(4-ethoxy-3-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of BAS 13776129
Property Insights of BAS 13776129
The XLogP value of 2.319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776129. With a topological polar surface area (TPSA) of 42.01 Ų, BAS 13776129 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13776129 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 BAS 13776129?
The CAS number of BAS 13776129 is 878441-67-9.
What is the molecular formula of BAS 13776129?
The molecular formula of BAS 13776129 is C19H26N2O3.
What is the molecular weight of BAS 13776129?
The molecular weight of BAS 13776129 is 330.19 g/mol.
Where can I buy BAS 13776129?
You can request a quote for BAS 13776129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776129?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.