Org 33201
TL;DR: Org 33201 (CAS 148714-92-5) is a chemical compound with molecular formula C21H29ClN2S and molecular weight 376.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2S,3aR)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole;hydrochloride
Also Known As: Org 33201, 1-((3alpha-Ethyl-9-(ethylthio)-2,3,3alpha,4,5,6-hexahydro-1H-phenalen-2-yl)methyl)-1H-imidazole, 1-[[(2S,3Ar)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole;hydrochloride, 1H-Imidazole, 1-((3a-ethyl-9-(ethylthio)-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl)-, monohydrochloride, (2S-trans)-, 1-[[(2S,3aR)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole hydrochloride
| Molecular Formula | C21H29ClN2S |
|---|---|
| Molecular Weight | 376.17 g/mol |
| LogP | 5.6636 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.174 |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 148714-92-5 |
|---|---|
| SMILES | CC[C@]12CCCC3=C1C(=C(C=C3)SCC)C[C@H](C2)CN4C=CN=C4.Cl |
| InChIKey | CQCWQGXXUFLLAL-KTWHHOSASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Org 33201 (CAS 148714-92-5), with molecular formula C21H29ClN2S and molecular weight 376.17 g/mol. IUPAC: 1-[[(2S,3aR)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole;hydrochloride.
Chemical Property Profile of Org 33201
Property Insights of Org 33201
The XLogP value of 5.6636 indicates that Org 33201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, Org 33201 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 33201 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Org 33201?
The CAS number of Org 33201 is 148714-92-5.
What is the molecular formula of Org 33201?
The molecular formula of Org 33201 is C21H29ClN2S.
What is the molecular weight of Org 33201?
The molecular weight of Org 33201 is 376.17 g/mol.
Where can I buy Org 33201?
You can request a quote for Org 33201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 33201?
Yes, KEHONG BIO provides custom synthesis services for Org 33201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.