S-Metazocine
TL;DR: S-Metazocine (CAS 71780-68-2) is a chemical compound with molecular formula C26H29NO5S and molecular weight 467.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;S-[(1R,9R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] benzenecarbothioate
Also Known As: S-Metazocine, Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E)-2-butenedioate (1:1), hydrate, RefChem:1098258
| Molecular Formula | C26H29NO5S |
|---|---|
| Molecular Weight | 467.18 g/mol |
| LogP | 4.4849 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.17664 |
| Heavy Atoms | 33 |
| Complexity | 1051.6068 |
Chemical Identifiers
| CAS Number | 71780-68-2 |
|---|---|
| SMILES | C[C@H]1[C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)SC(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
S-Metazocine (CAS 71780-68-2), with molecular formula C26H29NO5S and molecular weight 467.18 g/mol. IUPAC: (E)-but-2-enedioic acid;S-[(1R,9R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] benzenecarbothioate.
Chemical Property Profile of S-Metazocine
Property Insights of S-Metazocine
The XLogP value of 4.4849 indicates that S-Metazocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Metazocine. Following Lipinski's Rule of Five, S-Metazocine 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 S-Metazocine?
The CAS number of S-Metazocine is 71780-68-2.
What is the molecular formula of S-Metazocine?
The molecular formula of S-Metazocine is C26H29NO5S.
What is the molecular weight of S-Metazocine?
The molecular weight of S-Metazocine is 467.18 g/mol.
Where can I buy S-Metazocine?
You can request a quote for S-Metazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Metazocine?
Yes, KEHONG BIO provides custom synthesis services for S-Metazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.