Corytuberine hydrochloride
TL;DR: Corytuberine hydrochloride (CAS 351440-69-2) is a chemical compound with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-ethylsulfanyl-11-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: Corytuberine hydrochloride, Corytuberine hydrochloride [MI], BIM-0021614.P001, 2-(ethylsulfanyl)-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, AJ-292/13047027
| Molecular Formula | C18H18N2O2S2 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 4.0565 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.08096 |
| Heavy Atoms | 24 |
| Complexity | 957.7946 |
Chemical Identifiers
| CAS Number | 351440-69-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)OC |
Product Overview
Corytuberine hydrochloride (CAS 351440-69-2), with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol. IUPAC: 10-ethylsulfanyl-11-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of Corytuberine hydrochloride
Property Insights of Corytuberine hydrochloride
The XLogP value of 4.0565 indicates that Corytuberine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, Corytuberine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Corytuberine hydrochloride has 0 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 Corytuberine hydrochloride?
The CAS number of Corytuberine hydrochloride is 351440-69-2.
What is the molecular formula of Corytuberine hydrochloride?
The molecular formula of Corytuberine hydrochloride is C18H18N2O2S2.
What is the molecular weight of Corytuberine hydrochloride?
The molecular weight of Corytuberine hydrochloride is 358.08 g/mol.
Where can I buy Corytuberine hydrochloride?
You can request a quote for Corytuberine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Corytuberine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Corytuberine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.