RefChem:1073465
TL;DR: RefChem:1073465 (CAS 27719-93-3) is a chemical compound with molecular formula C27H28BrNO5 and molecular weight 525.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R)-3-[(9-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid
Also Known As: 3-((10-Bromo-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-tropane hydrogen fumarate, 5H-Dibenzo(a,d)cycloheptene, 10-bromo-5-(3-alpha-tropanyloxy)-, hydrogen fumarate, 10-Bromo-5-(3-alpha-tropanyloxy)-5H-dibenzo(a,d)cycloheptene hydrogen fumarate, 1.alpha.H,5.alpha.H-Tropane, 3-[(10-bromo-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, fumarate (1:1), RefChem:1073465
| Molecular Formula | C27H28BrNO5 |
|---|---|
| Molecular Weight | 525.12 g/mol |
| LogP | 5.336 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 525.1151 |
| Heavy Atoms | 34 |
| Complexity | 1097.5084 |
Chemical Identifiers
| CAS Number | 27719-93-3 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4C=C(C5=CC=CC=C35)Br.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073465 (CAS 27719-93-3), with molecular formula C27H28BrNO5 and molecular weight 525.12 g/mol. IUPAC: (1S,5R)-3-[(9-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1073465
Property Insights of RefChem:1073465
The XLogP value of 5.336 indicates that RefChem:1073465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073465. Following Lipinski's Rule of Five, RefChem:1073465 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1073465?
The CAS number of RefChem:1073465 is 27719-93-3.
What is the molecular formula of RefChem:1073465?
The molecular formula of RefChem:1073465 is C27H28BrNO5.
What is the molecular weight of RefChem:1073465?
The molecular weight of RefChem:1073465 is 525.12 g/mol.
Where can I buy RefChem:1073465?
You can request a quote for RefChem:1073465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.