RefChem:1100565
TL;DR: RefChem:1100565 (CAS 73954-01-5) is a chemical compound with molecular formula C29H32N2O5 and molecular weight 488.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
Also Known As: 3-(3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)nortropan-8-yl)propionitrile maleate, Tropane-8-propionitrile, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)-, hydrogen maleate, 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane-8-propionitrile hydrogenmaleate, 8-Azabicyclo[3.2.1]octane-8-propanenitrile, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, (Z)-2-butenedioate (1:1), RefChem:1100565
| Molecular Formula | C29H32N2O5 |
|---|---|
| Molecular Weight | 488.23 g/mol |
| LogP | 4.51208 |
| Topological Polar Surface Area | 110.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.2311 |
| Heavy Atoms | 36 |
| Complexity | 1076.8486 |
Chemical Identifiers
| CAS Number | 73954-01-5 |
|---|---|
| SMILES | C1CC2CC(CC1N2CCC#N)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100565 (CAS 73954-01-5), with molecular formula C29H32N2O5 and molecular weight 488.23 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile.
Chemical Property Profile of RefChem:1100565
Property Insights of RefChem:1100565
The XLogP value of 4.51208 indicates that RefChem:1100565 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:1100565. Following Lipinski's Rule of Five, RefChem:1100565 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:1100565?
The CAS number of RefChem:1100565 is 73954-01-5.
What is the molecular formula of RefChem:1100565?
The molecular formula of RefChem:1100565 is C29H32N2O5.
What is the molecular weight of RefChem:1100565?
The molecular weight of RefChem:1100565 is 488.23 g/mol.
Where can I buy RefChem:1100565?
You can request a quote for RefChem:1100565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100565?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.