3-(乙酰氨基)-1,5-萘二磺酸
TL;DR: 3-(乙酰氨基)-1,5-萘二磺酸 (CAS 68189-30-0) is a chemical compound with molecular formula C12H11NO7S2 and molecular weight 345.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(乙酰氨基)-1,5-萘二磺酸
3-acetamidonaphthalene-1,5-disulfonic acid
Also Known As: 3-acetamidonaphthalene-1,5-disulfonic acid, 1,5-Naphthalenedisulfonic acid, 3-(acetylamino)-, 3MeCONH-Naph-1,5-DiSO3H, 4,8-Disulfo-N-acetyl-2-naphthylamine, 3-(Acetylamino)-1,5-naphthalenedisulfonic acid
| Molecular Formula | C12H11NO7S2 |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.99768 |
| Heavy Atoms | 22 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 68189-30-0 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O |
| InChIKey | MVPUPRCGSNHKTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(乙酰氨基)-1,5-萘二磺酸 (CAS 68189-30-0), with molecular formula C12H11NO7S2 and molecular weight 345.00 g/mol. IUPAC: 3-acetamidonaphthalene-1,5-disulfonic acid.
Chemical Property Profile of 3-(乙酰氨基)-1,5-萘二磺酸
Property Insights of 3-(乙酰氨基)-1,5-萘二磺酸
The XLogP value of -0.2 indicates that 3-(乙酰氨基)-1,5-萘二磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 3-(乙酰氨基)-1,5-萘二磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(乙酰氨基)-1,5-萘二磺酸 has 3 hydrogen bond donor(s) and 7 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-(乙酰氨基)-1,5-萘二磺酸?
The CAS number of 3-(乙酰氨基)-1,5-萘二磺酸 is 68189-30-0.
What is the molecular formula of 3-(乙酰氨基)-1,5-萘二磺酸?
The molecular formula of 3-(乙酰氨基)-1,5-萘二磺酸 is C12H11NO7S2.
What is the molecular weight of 3-(乙酰氨基)-1,5-萘二磺酸?
The molecular weight of 3-(乙酰氨基)-1,5-萘二磺酸 is 345.00 g/mol.
Where can I buy 3-(乙酰氨基)-1,5-萘二磺酸?
You can request a quote for 3-(乙酰氨基)-1,5-萘二磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(乙酰氨基)-1,5-萘二磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(乙酰氨基)-1,5-萘二磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.