BAS 00604847
TL;DR: BAS 00604847 (CAS 331831-30-2) is a chemical compound with molecular formula C16H21BrN2O2 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Also Known As: BAS 00604847, AL-281/11336198, 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol, 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol, (1R,2R,3S,5R,6R,7S)-2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
| Molecular Formula | C16H21BrN2O2 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 2.1716 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.07864 |
| Heavy Atoms | 21 |
| Complexity | 567.9398 |
Chemical Identifiers
| CAS Number | 331831-30-2 |
|---|---|
| SMILES | CC12CN3CC(C1O)(CN(C2)C3C4=C(C=CC(=C4)Br)O)C |
Product Overview
BAS 00604847 (CAS 331831-30-2), with molecular formula C16H21BrN2O2 and molecular weight 352.08 g/mol. IUPAC: 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
Chemical Property Profile of BAS 00604847
Property Insights of BAS 00604847
The XLogP value of 2.1716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00604847. With a topological polar surface area (TPSA) of 46.94 Ų, BAS 00604847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00604847 has 2 hydrogen bond donor(s) and 4 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 00604847?
The CAS number of BAS 00604847 is 331831-30-2.
What is the molecular formula of BAS 00604847?
The molecular formula of BAS 00604847 is C16H21BrN2O2.
What is the molecular weight of BAS 00604847?
The molecular weight of BAS 00604847 is 352.08 g/mol.
Where can I buy BAS 00604847?
You can request a quote for BAS 00604847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00604847?
Yes, KEHONG BIO provides custom synthesis services for BAS 00604847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.