C34H31N5O4S
TL;DR: C34H31N5O4S (CAS 956629-54-2) is a chemical compound with molecular formula C34H31N5O4S and molecular weight 605.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-[(4-methoxyphenyl)methyl]-2-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: (2Z)-6-(4-methoxybenzyl)-2-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (Z)-2-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-6-(4-methoxybenzyl)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-6-[(4-methoxyphenyl)methyl]-2-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
| Molecular Formula | C34H31N5O4S |
|---|---|
| Molecular Weight | 605.21 g/mol |
| LogP | 4.85422 |
| Topological Polar Surface Area | 100.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 605.20966 |
| Heavy Atoms | 44 |
| Complexity | 2116.0876 |
Chemical Identifiers
| CAS Number | 956629-54-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)OC)S3)C6=CC=CC=C6)OCC(C)C |
Product Overview
C34H31N5O4S (CAS 956629-54-2), with molecular formula C34H31N5O4S and molecular weight 605.21 g/mol. IUPAC: (2Z)-6-[(4-methoxyphenyl)methyl]-2-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of C34H31N5O4S
Property Insights of C34H31N5O4S
The XLogP value of 4.85422 indicates that C34H31N5O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.61 Ų falls within the moderate polarity range, balancing permeability and solubility for C34H31N5O4S. Following Lipinski's Rule of Five, C34H31N5O4S has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C34H31N5O4S?
The CAS number of C34H31N5O4S is 956629-54-2.
What is the molecular formula of C34H31N5O4S?
The molecular formula of C34H31N5O4S is C34H31N5O4S.
What is the molecular weight of C34H31N5O4S?
The molecular weight of C34H31N5O4S is 605.21 g/mol.
Where can I buy C34H31N5O4S?
You can request a quote for C34H31N5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C34H31N5O4S?
Yes, KEHONG BIO provides custom synthesis services for C34H31N5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.