RefChem:1054821
TL;DR: RefChem:1054821 (CAS 10139-99-8) is a chemical compound with molecular formula C27H29NO5 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyloxy)-8-azabicyclo[3.2.1]octane
Also Known As: 3-alpha-((5H-Dibenzo(a,d)cyclohepten-5-yl)oxy)tropane maleate, 1-alpha-H,5-alpha-H-Tropane, 3-alpha-((5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, maleate (1:1), RefChem:1054821
| Molecular Formula | C27H29NO5 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | 4.6134 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.20456 |
| Heavy Atoms | 33 |
| Complexity | 996.18634 |
Chemical Identifiers
| CAS Number | 10139-99-8 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC3C4=CC=CC=C4C=CC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1054821 (CAS 10139-99-8), with molecular formula C27H29NO5 and molecular weight 447.20 g/mol. IUPAC: (E)-but-2-enedioic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyloxy)-8-azabicyclo[3.2.1]octane.
Chemical Property Profile of RefChem:1054821
Property Insights of RefChem:1054821
The XLogP value of 4.6134 indicates that RefChem:1054821 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:1054821. Following Lipinski's Rule of Five, RefChem:1054821 has 2 hydrogen bond donor(s) and 4 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:1054821?
The CAS number of RefChem:1054821 is 10139-99-8.
What is the molecular formula of RefChem:1054821?
The molecular formula of RefChem:1054821 is C27H29NO5.
What is the molecular weight of RefChem:1054821?
The molecular weight of RefChem:1054821 is 447.20 g/mol.
Where can I buy RefChem:1054821?
You can request a quote for RefChem:1054821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.