UPCMLD0ENAT5891449:001
TL;DR: UPCMLD0ENAT5891449:001 (CAS 561050-85-9) is a chemical compound with molecular formula C23H19N3O5S2 and molecular weight 481.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: UPCMLD0ENAT5891449:001, F3394-0402, 2-((3-allyl-5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C23H19N3O5S2 |
|---|---|
| Molecular Weight | 481.08 g/mol |
| LogP | 4.0412 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.0766 |
| Heavy Atoms | 33 |
| Complexity | 1391.3601 |
Chemical Identifiers
| CAS Number | 561050-85-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CO5 |
Product Overview
UPCMLD0ENAT5891449:001 (CAS 561050-85-9), with molecular formula C23H19N3O5S2 and molecular weight 481.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of UPCMLD0ENAT5891449:001
Property Insights of UPCMLD0ENAT5891449:001
The XLogP value of 4.0412 indicates that UPCMLD0ENAT5891449:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5891449:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5891449:001 has 1 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5891449:001?
The CAS number of UPCMLD0ENAT5891449:001 is 561050-85-9.
What is the molecular formula of UPCMLD0ENAT5891449:001?
The molecular formula of UPCMLD0ENAT5891449:001 is C23H19N3O5S2.
What is the molecular weight of UPCMLD0ENAT5891449:001?
The molecular weight of UPCMLD0ENAT5891449:001 is 481.08 g/mol.
Where can I buy UPCMLD0ENAT5891449:001?
You can request a quote for UPCMLD0ENAT5891449:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5891449:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5891449:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.