4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin
TL;DR: 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin (CAS 75574-99-1) is a chemical compound with molecular formula C12H10S3 and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,12,13-trithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
Also Known As: 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin, 4H,8H-Naphtho[1,8-e]-1,2,3-trithiocin, 8h-naphtho[1,8-ef]1,2,3-trithiocine, 1H,5H-naphtho[1,8-ef][1,2,3]trithiocine, RefChem:296757
| Molecular Formula | C12H10S3 |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.99446 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 75574-99-1 |
|---|---|
| SMILES | C1C2=CC=CC3=C2C(=CC=C3)CSSS1 |
| InChIKey | NSEJMUNUALATIB-UHFFFAOYSA-N |
Product Overview
4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin (CAS 75574-99-1), with molecular formula C12H10S3 and molecular weight 249.99 g/mol. IUPAC: 11,12,13-trithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.
Chemical Property Profile of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin
Property Insights of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin
The XLogP value of 3.7 indicates that 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin. Following Lipinski's Rule of Five, 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin 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 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin?
The CAS number of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin is 75574-99-1.
What is the molecular formula of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin?
The molecular formula of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin is C12H10S3.
What is the molecular weight of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin?
The molecular weight of 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin is 249.99 g/mol.
Where can I buy 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin?
You can request a quote for 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin?
Yes, KEHONG BIO provides custom synthesis services for 4H,8H-Naphtho(1,8-e)-1,2,3-trithiocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.