C15H15NO2S.BrH.1/2H2O
TL;DR: C15H15NO2S.BrH.1/2H2O (CAS 60969-95-1) is a chemical compound with molecular formula C15H16BrNO2S and molecular weight 353.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;hydrobromide
Also Known As: C15H15NO2S.BrH.1/2H2O, C15-H15-N-O2-S.Br-H.1/2H2-O, 10,11-Dihydro-10-(methylamino)dibenzo(b,f)thiepin-2,3-diol hydrobromide hydrate (2:2:1), 2,3-Dihydroxy-10-methylamino-10,11-dihydrodibenzo(b,f)thiepin hydrobromide hemihydrate, Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(methylamino)-, hydrobromide, hydrate (2:2:1)
| Molecular Formula | C15H16BrNO2S |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 3.6435 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.0085 |
| Heavy Atoms | 20 |
| Complexity | 633.26575 |
Chemical Identifiers
| CAS Number | 60969-95-1 |
|---|---|
| SMILES | CNC1CC2=CC(=C(C=C2SC3=CC=CC=C13)O)O.Br |
Product Overview
C15H15NO2S.BrH.1/2H2O (CAS 60969-95-1), with molecular formula C15H16BrNO2S and molecular weight 353.01 g/mol. IUPAC: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;hydrobromide.
Chemical Property Profile of C15H15NO2S.BrH.1/2H2O
Property Insights of C15H15NO2S.BrH.1/2H2O
The XLogP value of 3.6435 indicates that C15H15NO2S.BrH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, C15H15NO2S.BrH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H15NO2S.BrH.1/2H2O 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 C15H15NO2S.BrH.1/2H2O?
The CAS number of C15H15NO2S.BrH.1/2H2O is 60969-95-1.
What is the molecular formula of C15H15NO2S.BrH.1/2H2O?
The molecular formula of C15H15NO2S.BrH.1/2H2O is C15H16BrNO2S.
What is the molecular weight of C15H15NO2S.BrH.1/2H2O?
The molecular weight of C15H15NO2S.BrH.1/2H2O is 353.01 g/mol.
Where can I buy C15H15NO2S.BrH.1/2H2O?
You can request a quote for C15H15NO2S.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 C15H15NO2S.BrH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H15NO2S.BrH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.