ChemDiv3_002815
TL;DR: ChemDiv3_002815 (CAS 377049-05-3) is a chemical compound with molecular formula C19H16N2OS3 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-yl-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv3_002815, BRD-K52121476-001-01-9, pyridin-4-yl-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 5-isonicotinoyl-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, pyridin-4-yl(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
| Molecular Formula | C19H16N2OS3 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 5.80501 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.04248 |
| Heavy Atoms | 25 |
| Complexity | 1034.3228 |
Chemical Identifiers
| CAS Number | 377049-05-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=NC=C4 |
Product Overview
ChemDiv3_002815 (CAS 377049-05-3), with molecular formula C19H16N2OS3 and molecular weight 384.04 g/mol. IUPAC: pyridin-4-yl-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv3_002815
Property Insights of ChemDiv3_002815
The XLogP value of 5.80501 indicates that ChemDiv3_002815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, ChemDiv3_002815 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002815 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_002815?
The CAS number of ChemDiv3_002815 is 377049-05-3.
What is the molecular formula of ChemDiv3_002815?
The molecular formula of ChemDiv3_002815 is C19H16N2OS3.
What is the molecular weight of ChemDiv3_002815?
The molecular weight of ChemDiv3_002815 is 384.04 g/mol.
Where can I buy ChemDiv3_002815?
You can request a quote for ChemDiv3_002815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002815?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.