UPCMLD0ENAT5890079:001
TL;DR: UPCMLD0ENAT5890079:001 (CAS 379239-13-1) is a chemical compound with molecular formula C26H18N2O4S3 and molecular weight 518.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5890079:001, AF-399/40850995, 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one, F1143-1228, 2-((2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)thio)-3-phenyl-5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C26H18N2O4S3 |
|---|---|
| Molecular Weight | 518.04 g/mol |
| LogP | 5.9219 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.04285 |
| Heavy Atoms | 35 |
| Complexity | 1590.7124 |
Chemical Identifiers
| CAS Number | 379239-13-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3C6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT5890079:001 (CAS 379239-13-1), with molecular formula C26H18N2O4S3 and molecular weight 518.04 g/mol. IUPAC: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5890079:001
Property Insights of UPCMLD0ENAT5890079:001
The XLogP value of 5.9219 indicates that UPCMLD0ENAT5890079:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890079:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890079:001 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5890079:001?
The CAS number of UPCMLD0ENAT5890079:001 is 379239-13-1.
What is the molecular formula of UPCMLD0ENAT5890079:001?
The molecular formula of UPCMLD0ENAT5890079:001 is C26H18N2O4S3.
What is the molecular weight of UPCMLD0ENAT5890079:001?
The molecular weight of UPCMLD0ENAT5890079:001 is 518.04 g/mol.
Where can I buy UPCMLD0ENAT5890079:001?
You can request a quote for UPCMLD0ENAT5890079:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890079:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890079:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.