UPCMLD0ENAT5800791:001
TL;DR: UPCMLD0ENAT5800791:001 (CAS 893911-78-9) is a chemical compound with molecular formula C16H16FN5OS and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide
Also Known As: UPCMLD0ENAT5800791:001, 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide, F1874-0582, 2-((1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-isopropylacetamide, 2-{[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(propan-2-yl)acetamide
| Molecular Formula | C16H16FN5OS |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.5713 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.10596 |
| Heavy Atoms | 24 |
| Complexity | 862.5352 |
Chemical Identifiers
| CAS Number | 893911-78-9 |
|---|---|
| SMILES | CC(C)NC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F |
Product Overview
UPCMLD0ENAT5800791:001 (CAS 893911-78-9), with molecular formula C16H16FN5OS and molecular weight 345.11 g/mol. IUPAC: 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide.
Chemical Property Profile of UPCMLD0ENAT5800791:001
Property Insights of UPCMLD0ENAT5800791:001
The XLogP value of 2.5713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5800791:001. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5800791:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5800791:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5800791:001?
The CAS number of UPCMLD0ENAT5800791:001 is 893911-78-9.
What is the molecular formula of UPCMLD0ENAT5800791:001?
The molecular formula of UPCMLD0ENAT5800791:001 is C16H16FN5OS.
What is the molecular weight of UPCMLD0ENAT5800791:001?
The molecular weight of UPCMLD0ENAT5800791:001 is 345.11 g/mol.
Where can I buy UPCMLD0ENAT5800791:001?
You can request a quote for UPCMLD0ENAT5800791:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5800791:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5800791:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.