UPCMLD0ENAT5230732:001
TL;DR: UPCMLD0ENAT5230732:001 (CAS 744242-01-1) is a chemical compound with molecular formula C22H26N2O2S2 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3-(5-methoxy-2-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5230732:001, 11-tert-Butyl-4-(5-methoxy-2-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one, 7-tert-butyl-3-(5-methoxy-2-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 11-tert-butyl-4-(5-methoxy-2-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C22H26N2O2S2 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 5.57781 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.1436 |
| Heavy Atoms | 28 |
| Complexity | 1178.1808 |
Chemical Identifiers
| CAS Number | 744242-01-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC)N2C(=O)C3=C(NC2=S)SC4=C3CCC(C4)C(C)(C)C |
Product Overview
UPCMLD0ENAT5230732:001 (CAS 744242-01-1), with molecular formula C22H26N2O2S2 and molecular weight 414.14 g/mol. IUPAC: 7-tert-butyl-3-(5-methoxy-2-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5230732:001
Property Insights of UPCMLD0ENAT5230732:001
The XLogP value of 5.57781 indicates that UPCMLD0ENAT5230732:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, UPCMLD0ENAT5230732:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5230732:001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5230732:001?
The CAS number of UPCMLD0ENAT5230732:001 is 744242-01-1.
What is the molecular formula of UPCMLD0ENAT5230732:001?
The molecular formula of UPCMLD0ENAT5230732:001 is C22H26N2O2S2.
What is the molecular weight of UPCMLD0ENAT5230732:001?
The molecular weight of UPCMLD0ENAT5230732:001 is 414.14 g/mol.
Where can I buy UPCMLD0ENAT5230732:001?
You can request a quote for UPCMLD0ENAT5230732:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5230732:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5230732:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.