Brl 13776
TL;DR: Brl 13776 (CAS 63716-82-5) is a chemical compound with molecular formula C32H39NO2 and molecular weight 469.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-7-pentyl-3,4-dihydrochromen-5-ol
Also Known As: Brl 13776, Sermetacin (USAN/INN), 7-n-Pentyl-4-(1-(2-naphthylmethyl)-1,2,5,6-tetrahydro-4-pyridyl)-2,2-dimethylchroman-5-ol, 2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-7-pentyl-3,4-dihydrochromen-5-ol, 2,2-Dimethyl-4-{1-[(naphthalen-2-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-7-pentyl-3,4-dihydro-2H-1-benzopyran-5-ol
| Molecular Formula | C32H39NO2 |
|---|---|
| Molecular Weight | 469.30 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.29807 |
| Heavy Atoms | 35 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 63716-82-5 |
|---|---|
| SMILES | CCCCCC1=CC(=C2C(CC(OC2=C1)(C)C)C3=CCN(CC3)CC4=CC5=CC=CC=C5C=C4)O |
| InChIKey | RIYNPVPJWVVONN-UHFFFAOYSA-N |
Product Overview
Brl 13776 (CAS 63716-82-5), with molecular formula C32H39NO2 and molecular weight 469.30 g/mol. IUPAC: 2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-7-pentyl-3,4-dihydrochromen-5-ol.
Chemical Property Profile of Brl 13776
Property Insights of Brl 13776
The XLogP value of 7.8 indicates that Brl 13776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Brl 13776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 13776 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brl 13776?
The CAS number of Brl 13776 is 63716-82-5.
What is the molecular formula of Brl 13776?
The molecular formula of Brl 13776 is C32H39NO2.
What is the molecular weight of Brl 13776?
The molecular weight of Brl 13776 is 469.30 g/mol.
Where can I buy Brl 13776?
You can request a quote for Brl 13776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brl 13776?
Yes, KEHONG BIO provides custom synthesis services for Brl 13776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.