C27H22ClN9O9S3
TL;DR: C27H22ClN9O9S3 (CAS 93892-90-1) is a chemical compound with molecular formula C27H22ClN9O9S3 and molecular weight 747.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid
Also Known As: 2-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-5-sulpho-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonic acid, 2-[[4-[[4-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-5-SULFO-NAPHTHALEN-1-YL]AZO]-2,5-DIMETHYLPHENYL]AZO]BENZENE-1,4-DISULFONIC ACID, 2 ,5 -Dimethyl-4 -[4-(4-chloro-6-amino-1,3,5-triazine-2-ylamino)-5-sulfo-1-naphthylazo]azobenzene-2,5-disulfonic acid, 2-[[4-[[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-1,4-benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid
| Molecular Formula | C27H22ClN9O9S3 |
|---|---|
| Molecular Weight | 747.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 747.0391 |
| Heavy Atoms | 49 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 93892-90-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=NC(=NC(=N5)N)Cl)S(=O)(=O)O |
| InChIKey | QFGRYMRXLSEGSS-UHFFFAOYSA-N |
Product Overview
C27H22ClN9O9S3 (CAS 93892-90-1), with molecular formula C27H22ClN9O9S3 and molecular weight 747.04 g/mol. IUPAC: 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid.
Chemical Property Profile of C27H22ClN9O9S3
Property Insights of C27H22ClN9O9S3
The XLogP value of 4.2 indicates that C27H22ClN9O9S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 314.0 Ų indicates high polarity, suggesting C27H22ClN9O9S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C27H22ClN9O9S3 has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H22ClN9O9S3?
The CAS number of C27H22ClN9O9S3 is 93892-90-1.
What is the molecular formula of C27H22ClN9O9S3?
The molecular formula of C27H22ClN9O9S3 is C27H22ClN9O9S3.
What is the molecular weight of C27H22ClN9O9S3?
The molecular weight of C27H22ClN9O9S3 is 747.04 g/mol.
Where can I buy C27H22ClN9O9S3?
You can request a quote for C27H22ClN9O9S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H22ClN9O9S3?
Yes, KEHONG BIO provides custom synthesis services for C27H22ClN9O9S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.