C14H19NO.BrH.1/2H2O
TL;DR: C14H19NO.BrH.1/2H2O (CAS 56353-91-4) is a chemical compound with molecular formula C14H20BrNO and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,9bS)-3,9b-dimethyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol;hydrobromide
Also Known As: C14H19NO.BrH.1/2H2O, C14-H19-N-O.Br-H.1/2H2-O, 1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3,9b-dimethyl-, hydrobromide, hemihydrate, cis-, cis-2,3,3a,4,5,9b-Hexahydro-3,9b-dimethyl-1H-benz(e)indol-8-ol hydrobromide hydrate, (3aR,9bS)-3,9b-dimethyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol hydrobromide
| Molecular Formula | C14H20BrNO |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.8781 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.0728 |
| Heavy Atoms | 17 |
| Complexity | 434.23044 |
Chemical Identifiers
| CAS Number | 56353-91-4 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1CCC3=C2C=C(C=C3)O)C.Br |
Product Overview
C14H19NO.BrH.1/2H2O (CAS 56353-91-4), with molecular formula C14H20BrNO and molecular weight 297.07 g/mol. IUPAC: (3aR,9bS)-3,9b-dimethyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol;hydrobromide.
Chemical Property Profile of C14H19NO.BrH.1/2H2O
Property Insights of C14H19NO.BrH.1/2H2O
The XLogP value of 2.8781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H19NO.BrH.1/2H2O. With a topological polar surface area (TPSA) of 23.47 Ų, C14H19NO.BrH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H19NO.BrH.1/2H2O has 1 hydrogen bond donor(s) and 2 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 C14H19NO.BrH.1/2H2O?
The CAS number of C14H19NO.BrH.1/2H2O is 56353-91-4.
What is the molecular formula of C14H19NO.BrH.1/2H2O?
The molecular formula of C14H19NO.BrH.1/2H2O is C14H20BrNO.
What is the molecular weight of C14H19NO.BrH.1/2H2O?
The molecular weight of C14H19NO.BrH.1/2H2O is 297.07 g/mol.
Where can I buy C14H19NO.BrH.1/2H2O?
You can request a quote for C14H19NO.BrH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H19NO.BrH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C14H19NO.BrH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.