RefChem:1054812
TL;DR: RefChem:1054812 (CAS 1748-13-6) is a chemical compound with molecular formula C34H45NO5 and molecular weight 547.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;(1R,5S)-8-octyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Also Known As: 3-alpha-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-octylnortropane maleate, 1-alpha-H,5-alpha-H-Nortropane, 3-alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-octyl-, maleate (1:1), RefChem:1054812
| Molecular Formula | C34H45NO5 |
|---|---|
| Molecular Weight | 547.33 g/mol |
| LogP | 6.9589 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.3298 |
| Heavy Atoms | 40 |
| Complexity | 1067.1569 |
Chemical Identifiers
| CAS Number | 1748-13-6 |
|---|---|
| SMILES | CCCCCCCCN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1054812 (CAS 1748-13-6), with molecular formula C34H45NO5 and molecular weight 547.33 g/mol. IUPAC: (Z)-but-2-enedioic acid;(1R,5S)-8-octyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane.
Chemical Property Profile of RefChem:1054812
Property Insights of RefChem:1054812
The XLogP value of 6.9589 indicates that RefChem:1054812 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:1054812. Following Lipinski's Rule of Five, RefChem:1054812 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:1054812?
The CAS number of RefChem:1054812 is 1748-13-6.
What is the molecular formula of RefChem:1054812?
The molecular formula of RefChem:1054812 is C34H45NO5.
What is the molecular weight of RefChem:1054812?
The molecular weight of RefChem:1054812 is 547.33 g/mol.
Where can I buy RefChem:1054812?
You can request a quote for RefChem:1054812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054812?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.