RefChem:1060317
TL;DR: RefChem:1060317 (CAS 130857-09-9) is a chemical compound with molecular formula C24H33NO7 and molecular weight 447.2257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;(1R,9S,13R)-10-[2-(1,3-dioxan-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt)
Technical Specifications
| Molecular Formula | C24H33NO7 |
| Molecular Weight | 447.2257 g/mol |
| XLogP | 2.7813 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.2257 Da |
| Heavy Atoms | 32 |
| Complexity | 558.0 |
| SMILES | C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4OCCCO4)C)C=C(C=C3)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | DQEIFIWXFKBCKS-ODCFXONUSA-N |
Chemical Property Profile of RefChem:1060317
Property Insights of RefChem:1060317
The XLogP value of 2.7813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060317. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1060317. Following Lipinski's Rule of Five, RefChem:1060317 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1060317?
The CAS number of RefChem:1060317 is 130857-09-9.
What is the molecular formula of RefChem:1060317?
The molecular formula of RefChem:1060317 is C24H33NO7.
What is the molecular weight of RefChem:1060317?
The molecular weight of RefChem:1060317 is 447.2257 g/mol.
Where can I buy RefChem:1060317?
You can request a quote for RefChem:1060317 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1060317?
Yes, CoreyChem provides custom synthesis services for RefChem:1060317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.