VU0512505-1
TL;DR: VU0512505-1 (CAS 438574-60-8) is a chemical compound with molecular formula C21H19F3N2O5S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxyethyl)-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate
Also Known As: VU0512505-1, F3168-1647, methyl 3-(2-methoxyethyl)-4-oxo-2-((4-(trifluoromethoxy)benzyl)thio)-3,4-dihydroquinazoline-7-carboxylate, methyl 3-(2-methoxyethyl)-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate, METHYL 3-(2-METHOXYETHYL)-4-OXO-2-({[4-(TRIFLUOROMETHOXY)PHENYL]METHYL}SULFANYL)-3,4-DIHYDROQUINAZOLINE-7-CARBOXYLATE
| Molecular Formula | C21H19F3N2O5S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 4.0204 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.09668 |
| Heavy Atoms | 32 |
| Complexity | 1163.0393 |
Chemical Identifiers
| CAS Number | 438574-60-8 |
|---|---|
| SMILES | COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
VU0512505-1 (CAS 438574-60-8), with molecular formula C21H19F3N2O5S and molecular weight 468.10 g/mol. IUPAC: methyl 3-(2-methoxyethyl)-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate.
Chemical Property Profile of VU0512505-1
Property Insights of VU0512505-1
The XLogP value of 4.0204 indicates that VU0512505-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512505-1. Following Lipinski's Rule of Five, VU0512505-1 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 VU0512505-1?
The CAS number of VU0512505-1 is 438574-60-8.
What is the molecular formula of VU0512505-1?
The molecular formula of VU0512505-1 is C21H19F3N2O5S.
What is the molecular weight of VU0512505-1?
The molecular weight of VU0512505-1 is 468.10 g/mol.
Where can I buy VU0512505-1?
You can request a quote for VU0512505-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512505-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512505-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.