RefChem:1100563
TL;DR: RefChem:1100563 (CAS 16136-23-5) is a chemical compound with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]acetonitrile
Also Known As: 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)-9-cyanomethyltropane hydrogen maleate, Tropane-8-acetonitrile, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)-, hydrogen maleate, 3-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)nortropan-8-yl)acetonitrile maleate, 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane-8-acetonitrile hydrogenmaleate, 8-Azabicyclo[3.2.1]octane-8-acetonitrile, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C28H30N2O5 |
|---|---|
| Molecular Weight | 474.22 g/mol |
| LogP | 4.12198 |
| Topological Polar Surface Area | 110.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.21548 |
| Heavy Atoms | 35 |
| Complexity | 1074.6627 |
Chemical Identifiers
| CAS Number | 16136-23-5 |
|---|---|
| SMILES | C1CC2C(CCC1N2CC#N)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100563 (CAS 16136-23-5), with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]acetonitrile.
Chemical Property Profile of RefChem:1100563
Property Insights of RefChem:1100563
The XLogP value of 4.12198 indicates that RefChem:1100563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100563. Following Lipinski's Rule of Five, RefChem:1100563 has 2 hydrogen bond donor(s) and 5 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:1100563?
The CAS number of RefChem:1100563 is 16136-23-5.
What is the molecular formula of RefChem:1100563?
The molecular formula of RefChem:1100563 is C28H30N2O5.
What is the molecular weight of RefChem:1100563?
The molecular weight of RefChem:1100563 is 474.22 g/mol.
Where can I buy RefChem:1100563?
You can request a quote for RefChem:1100563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100563?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.