![Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt structure](/static/products/7180/71806-08-1.webp)
Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt
TL;DR: Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt (CAS 71806-08-1) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylbenzo[e][1,3]benzoxazol-1-ium-1-yl)propane-1-sulfonate
Also Known As: J3.781.540C, Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt, 2-METHYL-1-(3-SULFONATOPROPYL)NAPHTHO[1,2-D][1,3]OXAZOL-1-IUM, 3-(2-methylbenzo[e][1,3]benzoxazol-1-ium-1-yl)propane-1-sulfonate, 3-(2-Methylnaphtho[1,2-d][1,3]oxazol-1-ium-1-yl)-1-propanesulfonate
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 2.11722 |
| Topological Polar Surface Area | 74.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 911.96423 |
Chemical Identifiers
| CAS Number | 71806-08-1 |
|---|---|
| SMILES | CC1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-] |
Product Overview
Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt (CAS 71806-08-1), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: 3-(2-methylbenzo[e][1,3]benzoxazol-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt
Property Insights of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt
The XLogP value of 2.11722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt. The TPSA of 74.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt has 0 hydrogen bond donor(s) and 4 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 Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
The CAS number of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is 71806-08-1.
What is the molecular formula of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
The molecular formula of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is C15H15NO4S.
What is the molecular weight of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
The molecular weight of Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is 305.07 g/mol.
Where can I buy Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
You can request a quote for Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.