C35H35NO2.BrH.1/4H2O
TL;DR: C35H35NO2.BrH.1/4H2O (CAS 137638-86-9) is a chemical compound with molecular formula C35H36BrNO2 and molecular weight 581.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-benzyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl) 2,2-diphenylacetate;hydrobromide
Also Known As: C35H35NO2.BrH.1/4H2O, C35-H35-N-O2.Br-H.1/4H2-O, Benzeneacetic acid, alpha-phenyl-, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(phenylmethyl)-2,6-methano-3-benzazocin-8-yl ester, hydrobromide, hydrate (4:4:1), 3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl diphenylacetate--hydrogen bromide (1/1), RefChem:1067387
| Molecular Formula | C35H36BrNO2 |
|---|---|
| Molecular Weight | 581.19 g/mol |
| LogP | 7.7264 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 581.19293 |
| Heavy Atoms | 39 |
| Complexity | 1369.285 |
Chemical Identifiers
| CAS Number | 137638-86-9 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2CC4=CC=CC=C4)C)C=C(C=C3)OC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6.Br |
Product Overview
C35H35NO2.BrH.1/4H2O (CAS 137638-86-9), with molecular formula C35H36BrNO2 and molecular weight 581.19 g/mol. IUPAC: (10-benzyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl) 2,2-diphenylacetate;hydrobromide.
Chemical Property Profile of C35H35NO2.BrH.1/4H2O
Property Insights of C35H35NO2.BrH.1/4H2O
The XLogP value of 7.7264 indicates that C35H35NO2.BrH.1/4H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, C35H35NO2.BrH.1/4H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C35H35NO2.BrH.1/4H2O has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C35H35NO2.BrH.1/4H2O?
The CAS number of C35H35NO2.BrH.1/4H2O is 137638-86-9.
What is the molecular formula of C35H35NO2.BrH.1/4H2O?
The molecular formula of C35H35NO2.BrH.1/4H2O is C35H36BrNO2.
What is the molecular weight of C35H35NO2.BrH.1/4H2O?
The molecular weight of C35H35NO2.BrH.1/4H2O is 581.19 g/mol.
Where can I buy C35H35NO2.BrH.1/4H2O?
You can request a quote for C35H35NO2.BrH.1/4H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C35H35NO2.BrH.1/4H2O?
Yes, KEHONG BIO provides custom synthesis services for C35H35NO2.BrH.1/4H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.