VU0618182-1
TL;DR: VU0618182-1 (CAS 690960-32-8) is a chemical compound with molecular formula C22H21N5O4S2 and molecular weight 483.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: VU0618182-1, F3394-0587, ethyl 4,5-dimethyl-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-({[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetyl}amino)thiophene-3-carboxylate
| Molecular Formula | C22H21N5O4S2 |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | 3.69464 |
| Topological Polar Surface Area | 118.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.1035 |
| Heavy Atoms | 33 |
| Complexity | 1391.2994 |
Chemical Identifiers
| CAS Number | 690960-32-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4 |
Product Overview
VU0618182-1 (CAS 690960-32-8), with molecular formula C22H21N5O4S2 and molecular weight 483.10 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of VU0618182-1
Property Insights of VU0618182-1
The XLogP value of 3.69464 indicates that VU0618182-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.97 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618182-1. Following Lipinski's Rule of Five, VU0618182-1 has 2 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 VU0618182-1?
The CAS number of VU0618182-1 is 690960-32-8.
What is the molecular formula of VU0618182-1?
The molecular formula of VU0618182-1 is C22H21N5O4S2.
What is the molecular weight of VU0618182-1?
The molecular weight of VU0618182-1 is 483.10 g/mol.
Where can I buy VU0618182-1?
You can request a quote for VU0618182-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618182-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618182-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.