4a-Bromoperhydroisoquinoline hydrobromide
TL;DR: 4a-Bromoperhydroisoquinoline hydrobromide (CAS 4479-54-3) is a chemical compound with molecular formula C9H17Br2N and molecular weight 296.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline;hydrobromide
Also Known As: 4a-bromoperhydroisoquinoline hydrobromide, 4a-bromo-octahydro-1H-isoquinoline hydrobromide, 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline Hydrobromide, 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline;hydrobromide
| Molecular Formula | C9H17Br2N |
|---|---|
| Molecular Weight | 296.97 g/mol |
| LogP | 2.8815 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.97278 |
| Heavy Atoms | 12 |
| Complexity | 137.46396 |
Chemical Identifiers
| CAS Number | 4479-54-3 |
|---|---|
| SMILES | C1CCC2(CCNCC2C1)Br.Br |
Product Overview
4a-Bromoperhydroisoquinoline hydrobromide (CAS 4479-54-3), with molecular formula C9H17Br2N and molecular weight 296.97 g/mol. IUPAC: 4a-bromo-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinoline;hydrobromide.
Chemical Property Profile of 4a-Bromoperhydroisoquinoline hydrobromide
Property Insights of 4a-Bromoperhydroisoquinoline hydrobromide
The XLogP value of 2.8815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-Bromoperhydroisoquinoline hydrobromide. With a topological polar surface area (TPSA) of 12.03 Ų, 4a-Bromoperhydroisoquinoline hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Bromoperhydroisoquinoline hydrobromide has 1 hydrogen bond donor(s) and 1 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 4a-Bromoperhydroisoquinoline hydrobromide?
The CAS number of 4a-Bromoperhydroisoquinoline hydrobromide is 4479-54-3.
What is the molecular formula of 4a-Bromoperhydroisoquinoline hydrobromide?
The molecular formula of 4a-Bromoperhydroisoquinoline hydrobromide is C9H17Br2N.
What is the molecular weight of 4a-Bromoperhydroisoquinoline hydrobromide?
The molecular weight of 4a-Bromoperhydroisoquinoline hydrobromide is 296.97 g/mol.
Where can I buy 4a-Bromoperhydroisoquinoline hydrobromide?
You can request a quote for 4a-Bromoperhydroisoquinoline hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Bromoperhydroisoquinoline hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4a-Bromoperhydroisoquinoline hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.