D171-0150
TL;DR: D171-0150 (CAS 956691-29-5) is a chemical compound with molecular formula C20H28N2O3 and molecular weight 344.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: D171-0150, 5-butyl-2-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (5s,7s)-5-butyl-2-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,3-diazaadamantan-6-one
| Molecular Formula | C20H28N2O3 |
|---|---|
| Molecular Weight | 344.21 g/mol |
| LogP | 2.7962 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.21 |
| Heavy Atoms | 25 |
| Complexity | 686.1817 |
Chemical Identifiers
| CAS Number | 956691-29-5 |
|---|---|
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)O)OC)C |
Product Overview
D171-0150 (CAS 956691-29-5), with molecular formula C20H28N2O3 and molecular weight 344.21 g/mol. IUPAC: 5-butyl-2-(4-hydroxy-3-methoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of D171-0150
Property Insights of D171-0150
The XLogP value of 2.7962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D171-0150. With a topological polar surface area (TPSA) of 53.01 Ų, D171-0150 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D171-0150 has 1 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 D171-0150?
The CAS number of D171-0150 is 956691-29-5.
What is the molecular formula of D171-0150?
The molecular formula of D171-0150 is C20H28N2O3.
What is the molecular weight of D171-0150?
The molecular weight of D171-0150 is 344.21 g/mol.
Where can I buy D171-0150?
You can request a quote for D171-0150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D171-0150?
Yes, KEHONG BIO provides custom synthesis services for D171-0150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.