UPCMLD0ENAT0400-0586:001
TL;DR: UPCMLD0ENAT0400-0586:001 (CAS 296272-12-3) is a chemical compound with molecular formula C18H15NOS4 and molecular weight 389.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-yl-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: UPCMLD0ENAT0400-0586:001, AE-848/32078061, thiophen-2-yl-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 4,4,8-trimethyl-5-(2-thienylcarbonyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, thiophen-2-yl(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
| Molecular Formula | C18H15NOS4 |
|---|---|
| Molecular Weight | 389.00 g/mol |
| LogP | 6.47151 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.00366 |
| Heavy Atoms | 24 |
| Complexity | 994.4528 |
Chemical Identifiers
| CAS Number | 296272-12-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CS4 |
Product Overview
UPCMLD0ENAT0400-0586:001 (CAS 296272-12-3), with molecular formula C18H15NOS4 and molecular weight 389.00 g/mol. IUPAC: thiophen-2-yl-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of UPCMLD0ENAT0400-0586:001
Property Insights of UPCMLD0ENAT0400-0586:001
The XLogP value of 6.47151 indicates that UPCMLD0ENAT0400-0586:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, UPCMLD0ENAT0400-0586:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0400-0586:001 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 UPCMLD0ENAT0400-0586:001?
The CAS number of UPCMLD0ENAT0400-0586:001 is 296272-12-3.
What is the molecular formula of UPCMLD0ENAT0400-0586:001?
The molecular formula of UPCMLD0ENAT0400-0586:001 is C18H15NOS4.
What is the molecular weight of UPCMLD0ENAT0400-0586:001?
The molecular weight of UPCMLD0ENAT0400-0586:001 is 389.00 g/mol.
Where can I buy UPCMLD0ENAT0400-0586:001?
You can request a quote for UPCMLD0ENAT0400-0586:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0400-0586:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0400-0586:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.