RefChem:300172
TL;DR: RefChem:300172 (CAS 13588-33-5) is a chemical compound with molecular formula C27H24N4O15S4 and molecular weight 772.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-, 5-Acetamido-4-hydroxy-3-[[4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid, (3E)-5-acetamido-4-oxo-3-[[4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-
| Molecular Formula | C27H24N4O15S4 |
|---|---|
| Molecular Weight | 772.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 343.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 772.0121 |
| Heavy Atoms | 50 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 13588-33-5 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FKWCJJJNJSITMZ-UHFFFAOYSA-N |
Product Overview
RefChem:300172 (CAS 13588-33-5), with molecular formula C27H24N4O15S4 and molecular weight 772.01 g/mol. IUPAC: 5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:300172
Property Insights of RefChem:300172
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:300172. The TPSA of 343.0 Ų indicates high polarity, suggesting RefChem:300172 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:300172 has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:300172?
The CAS number of RefChem:300172 is 13588-33-5.
What is the molecular formula of RefChem:300172?
The molecular formula of RefChem:300172 is C27H24N4O15S4.
What is the molecular weight of RefChem:300172?
The molecular weight of RefChem:300172 is 772.01 g/mol.
Where can I buy RefChem:300172?
You can request a quote for RefChem:300172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:300172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:300172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.