C38H28N10O13S3
TL;DR: C38H28N10O13S3 (CAS 68134-18-9) is a chemical compound with molecular formula C38H28N10O13S3 and molecular weight 928.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-5-[(2E)-2-[(5E)-5-[[3-[3-methyl-5-oxo-4-[(4-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
Also Known As: 2,7-Naphthalenedisulfonic acid, 4-((3-((3-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-5-hydroxy-6-(phenylazo)-, 2,7-Naphthalenedisulfonic acid, 4-[[3-[[3-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-5-hydroxy-6-(phenylazo)-, 2,7-Naphthalenedisulfonic acid, 5-(2-(3-(2-(3-(4,5-dihydro-3-methyl-5-oxo-4-(2-(4-sulfophenyl)diazenyl)-1H-pyrazol-1-yl)phenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)-4-hydroxy-3-(2-phenyldiazenyl)-
| Molecular Formula | C38H28N10O13S3 |
|---|---|
| Molecular Weight | 928.10 g/mol |
| LogP | 2.3997 |
| Topological Polar Surface Area | 344.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 928.0999 |
| Heavy Atoms | 64 |
| Complexity | 3498.1726 |
Chemical Identifiers
| CAS Number | 68134-18-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC(=C3)N/N=C/4\C(=O)C=C/C(=N\NC5=CC(=CC6=C5C(=O)/C(=N/NC7=CC=CC=C7)/C(=C6)S(=O)(=O)O)S(=O)(=O)O)/C4=O |
Product Overview
C38H28N10O13S3 (CAS 68134-18-9), with molecular formula C38H28N10O13S3 and molecular weight 928.10 g/mol. IUPAC: (3Z)-5-[(2E)-2-[(5E)-5-[[3-[3-methyl-5-oxo-4-[(4-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid.
Chemical Property Profile of C38H28N10O13S3
Property Insights of C38H28N10O13S3
The XLogP value of 2.3997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C38H28N10O13S3. The TPSA of 344.88 Ų indicates high polarity, suggesting C38H28N10O13S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C38H28N10O13S3 has 6 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C38H28N10O13S3?
The CAS number of C38H28N10O13S3 is 68134-18-9.
What is the molecular formula of C38H28N10O13S3?
The molecular formula of C38H28N10O13S3 is C38H28N10O13S3.
What is the molecular weight of C38H28N10O13S3?
The molecular weight of C38H28N10O13S3 is 928.10 g/mol.
Where can I buy C38H28N10O13S3?
You can request a quote for C38H28N10O13S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C38H28N10O13S3?
Yes, KEHONG BIO provides custom synthesis services for C38H28N10O13S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.