3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene
TL;DR: 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene (CAS 62202-79-3) is a chemical compound with molecular formula C15H23NS2 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene
Also Known As: c12CSCCCCCCCCSCc(n1)ccc2, 3,12-Dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene, 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene, 3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(17),14(18),15-triene, RefChem:90574
| Molecular Formula | C15H23NS2 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.1272 |
| Heavy Atoms | 18 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 62202-79-3 |
|---|---|
| SMILES | C1CCCCSCC2=CC=CC(=N2)CSCCC1 |
| InChIKey | MIOOVECYJVBYKP-UHFFFAOYSA-N |
Product Overview
3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene (CAS 62202-79-3), with molecular formula C15H23NS2 and molecular weight 281.13 g/mol. IUPAC: 3,12-dithia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene.
Chemical Property Profile of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene
Property Insights of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene
The XLogP value of 4.1 indicates that 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene. Following Lipinski's Rule of Five, 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene has 0 hydrogen bond donor(s) and 3 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 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene?
The CAS number of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene is 62202-79-3.
What is the molecular formula of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene?
The molecular formula of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene is C15H23NS2.
What is the molecular weight of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene?
The molecular weight of 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene is 281.13 g/mol.
Where can I buy 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene?
You can request a quote for 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.