RefChem:237658
TL;DR: RefChem:237658 (CAS 41829-14-5) is a chemical compound with molecular formula C13H20Br2N2O2 and molecular weight 393.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,9aS)-7-amino-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinoline-5,6-diol;dihydrobromide
Also Known As: 1H-Benzo(de)quinoline-5,6-diol, 2,3,7,8,9,9a-hexahydro-7-amino-1-methyl-, dihydrobromide, trans-, 7-Amino-2,3,7,8,9,9a-hexahydro-5,6-dihydroxy-1-methyl-1H-benzo(de)chinolin-dihydrobromid, (E)-7-Amino-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo(de)quinoline-5,6-diol dihydrobromide, trans-2,3,7,8,9,9a-Hexahydro-7-amino-1-methyl-1H-benzo[de]quinoline-5,6-diol 2hbr, (7R,9aS)-7-Amino-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo[de]quinoline-5,6-diol--hydrogen bromide (1/2)
| Molecular Formula | C13H20Br2N2O2 |
|---|---|
| Molecular Weight | 393.99 g/mol |
| LogP | 2.5762 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 393.98914 |
| Heavy Atoms | 19 |
| Complexity | 482.2013 |
Chemical Identifiers
| CAS Number | 41829-14-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC[C@H]3N)O)O.Br.Br |
Product Overview
RefChem:237658 (CAS 41829-14-5), with molecular formula C13H20Br2N2O2 and molecular weight 393.99 g/mol. IUPAC: (7R,9aS)-7-amino-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinoline-5,6-diol;dihydrobromide.
Chemical Property Profile of RefChem:237658
Property Insights of RefChem:237658
The XLogP value of 2.5762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237658. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:237658. Following Lipinski's Rule of Five, RefChem:237658 has 3 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 RefChem:237658?
The CAS number of RefChem:237658 is 41829-14-5.
What is the molecular formula of RefChem:237658?
The molecular formula of RefChem:237658 is C13H20Br2N2O2.
What is the molecular weight of RefChem:237658?
The molecular weight of RefChem:237658 is 393.99 g/mol.
Where can I buy RefChem:237658?
You can request a quote for RefChem:237658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237658?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.