3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid
TL;DR: 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid (CAS 71411-88-6) is a chemical compound with molecular formula C16H13NO9S3 and molecular weight 458.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
Also Known As: EINECS 275-394-2, 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid, 3-amino-4-[ oxy]naphthalene-2,7-disulphonicacid, 3-amino-4-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid, 3-AMINO-4-[(BENZENESULFONYL)OXY]NAPHTHALENE-2,7-DISULFONIC ACID
| Molecular Formula | C16H13NO9S3 |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 1.6831 |
| Topological Polar Surface Area | 178.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.97525 |
| Heavy Atoms | 29 |
| Complexity | 1429.9839 |
Chemical Identifiers
| CAS Number | 71411-88-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2N)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid (CAS 71411-88-6), with molecular formula C16H13NO9S3 and molecular weight 458.98 g/mol. IUPAC: 3-amino-4-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid.
Chemical Property Profile of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid
Property Insights of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid
The XLogP value of 1.6831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid. The TPSA of 178.13 Ų indicates high polarity, suggesting 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid?
The CAS number of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid is 71411-88-6.
What is the molecular formula of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid?
The molecular formula of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid is C16H13NO9S3.
What is the molecular weight of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid?
The molecular weight of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid is 458.98 g/mol.
Where can I buy 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid?
You can request a quote for 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.