EINECS 257-734-1
TL;DR: EINECS 257-734-1 (CAS 52204-35-0) is a chemical compound with molecular formula C30H24ClN3O11S3 and molecular weight 733.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 6-methyl-1,5-dihydroimidazo[2,1-b]quinazolin-2(3h)-one, 1-Amino-4-((4-((3-((2-chloroethyl)sulphonyl)benzoyl)methylamino)-2-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid, 2-anthracenesulfonic acid, 1-amino-4-[[4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]methylamino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, 1-AMINO-4-({4-[N-METHYL3-(2-CHLOROETHANESULFONYL)BENZAMIDO]-2-SULFOPHENYL}AMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONIC ACID, 1-Amino-4-(4-{[3-(2-chloroethanesulfonyl)benzoyl](methyl)amino}-2-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
| Molecular Formula | C30H24ClN3O11S3 |
|---|---|
| Molecular Weight | 733.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 733.0261 |
| Heavy Atoms | 48 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 52204-35-0 |
|---|---|
| SMILES | CN(C1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)C5=CC(=CC=C5)S(=O)(=O)CCCl |
| InChIKey | QJHFNCUSHWKNEV-UHFFFAOYSA-N |
Product Overview
EINECS 257-734-1 (CAS 52204-35-0), with molecular formula C30H24ClN3O11S3 and molecular weight 733.03 g/mol. IUPAC: 1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of EINECS 257-734-1
Property Insights of EINECS 257-734-1
The XLogP value of 3.2 indicates that EINECS 257-734-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 261.0 Ų indicates high polarity, suggesting EINECS 257-734-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 257-734-1 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 257-734-1?
The CAS number of EINECS 257-734-1 is 52204-35-0.
What is the molecular formula of EINECS 257-734-1?
The molecular formula of EINECS 257-734-1 is C30H24ClN3O11S3.
What is the molecular weight of EINECS 257-734-1?
The molecular weight of EINECS 257-734-1 is 733.03 g/mol.
Where can I buy EINECS 257-734-1?
You can request a quote for EINECS 257-734-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-734-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-734-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.