UPCMLD0ENAT5891656:001
TL;DR: UPCMLD0ENAT5891656:001 (CAS 690642-81-0) is a chemical compound with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5891656:001, 2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H16N2O4S2 |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 4.925 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.05515 |
| Heavy Atoms | 29 |
| Complexity | 1257.9111 |
Chemical Identifiers
| CAS Number | 690642-81-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CO5 |
Product Overview
UPCMLD0ENAT5891656:001 (CAS 690642-81-0), with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5891656:001
Property Insights of UPCMLD0ENAT5891656:001
The XLogP value of 4.925 indicates that UPCMLD0ENAT5891656:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5891656:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5891656:001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5891656:001?
The CAS number of UPCMLD0ENAT5891656:001 is 690642-81-0.
What is the molecular formula of UPCMLD0ENAT5891656:001?
The molecular formula of UPCMLD0ENAT5891656:001 is C21H16N2O4S2.
What is the molecular weight of UPCMLD0ENAT5891656:001?
The molecular weight of UPCMLD0ENAT5891656:001 is 424.06 g/mol.
Where can I buy UPCMLD0ENAT5891656:001?
You can request a quote for UPCMLD0ENAT5891656:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5891656:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5891656:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.