RefChem:1060321
TL;DR: RefChem:1060321 (CAS 74400-53-6) is a chemical compound with molecular formula C44H62N2O6 and molecular weight 714.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(1,13-dimethyl-10-(4-methylpent-3-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol)
Also Known As: N-Dimethylallyl-5,9-dimethyl-2-hydroxy-6,7-benzomorphan fumarate, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(4-methyl-3-pentenyl)-, (E)-2-butenedioate (2:1) (salt), RefChem:1060321
| Molecular Formula | C44H62N2O6 |
|---|---|
| Molecular Weight | 714.46 g/mol |
| LogP | 8.2572 |
| Topological Polar Surface Area | 121.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 714.4608 |
| Heavy Atoms | 52 |
| Complexity | 1548.9248 |
Chemical Identifiers
| CAS Number | 74400-53-6 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2CCC=C(C)C)C)C=C(C=C3)O.CC1C2CC3=C(C1(CCN2CCC=C(C)C)C)C=C(C=C3)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1060321 (CAS 74400-53-6), with molecular formula C44H62N2O6 and molecular weight 714.46 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1,13-dimethyl-10-(4-methylpent-3-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol).
Chemical Property Profile of RefChem:1060321
Property Insights of RefChem:1060321
The XLogP value of 8.2572 indicates that RefChem:1060321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1060321. Following Lipinski's Rule of Five, RefChem:1060321 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1060321?
The CAS number of RefChem:1060321 is 74400-53-6.
What is the molecular formula of RefChem:1060321?
The molecular formula of RefChem:1060321 is C44H62N2O6.
What is the molecular weight of RefChem:1060321?
The molecular weight of RefChem:1060321 is 714.46 g/mol.
Where can I buy RefChem:1060321?
You can request a quote for RefChem:1060321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060321?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.