VU0609653-1
TL;DR: VU0609653-1 (CAS 877800-18-5) is a chemical compound with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)acetamide
Also Known As: VU0609653-1, 2-((5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(4-nitrophenyl)acetamide, F3305-0352, 2-({5-METHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL}SULFANYL)-N-(4-NITROPHENYL)ACETAMIDE, 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)acetamide
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 4.34372 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1222.8694 |
Chemical Identifiers
| CAS Number | 877800-18-5 |
|---|---|
| SMILES | CC1=NC2=C(C=NN2C(=C1)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
VU0609653-1 (CAS 877800-18-5), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of VU0609653-1
Property Insights of VU0609653-1
The XLogP value of 4.34372 indicates that VU0609653-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0609653-1. Following Lipinski's Rule of Five, VU0609653-1 has 1 hydrogen bond donor(s) and 6 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 VU0609653-1?
The CAS number of VU0609653-1 is 877800-18-5.
What is the molecular formula of VU0609653-1?
The molecular formula of VU0609653-1 is C21H17N5O3S.
What is the molecular weight of VU0609653-1?
The molecular weight of VU0609653-1 is 419.11 g/mol.
Where can I buy VU0609653-1?
You can request a quote for VU0609653-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0609653-1?
Yes, KEHONG BIO provides custom synthesis services for VU0609653-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.