Thiaellipticine
TL;DR: Thiaellipticine (CAS 21339-68-4) is a chemical compound with molecular formula C17H13NS and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
Also Known As: Thiallipticine, THIAELLIPTICINE, [1]Benzothieno[2, 5,11-dimethyl-, 5,11-dimethyl[1]benzothieno[2,3-g]isoquinoline, NCI60_000464
| Molecular Formula | C17H13NS |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.07687 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 21339-68-4 |
|---|---|
| SMILES | CC1=C2C=CN=CC2=C(C3=C1SC4=CC=CC=C43)C |
| InChIKey | YGFBWKZEDJNZDB-UHFFFAOYSA-N |
Product Overview
Thiaellipticine (CAS 21339-68-4), with molecular formula C17H13NS and molecular weight 263.08 g/mol. IUPAC: 5,11-dimethyl-[1]benzothiolo[2,3-g]isoquinoline.
Chemical Property Profile of Thiaellipticine
Property Insights of Thiaellipticine
The XLogP value of 5.7 indicates that Thiaellipticine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Thiaellipticine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiaellipticine has 0 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 Thiaellipticine?
The CAS number of Thiaellipticine is 21339-68-4.
What is the molecular formula of Thiaellipticine?
The molecular formula of Thiaellipticine is C17H13NS.
What is the molecular weight of Thiaellipticine?
The molecular weight of Thiaellipticine is 263.08 g/mol.
Where can I buy Thiaellipticine?
You can request a quote for Thiaellipticine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiaellipticine?
Yes, KEHONG BIO provides custom synthesis services for Thiaellipticine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.