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5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole
TL;DR: 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole (CAS 379246-56-7) is a chemical compound with molecular formula C18H14O4S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(naphthalen-2-ylsulfonylmethyl)-1,3-benzodioxole
Also Known As: SDCCGSBI-0660367.P001, AB00305179-03, 5-[(2-naphthylsulfonyl)methyl]-1,3-benzodioxole, 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole, AF-399/40684383
| Molecular Formula | C18H14O4S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.06128 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 379246-56-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CS(=O)(=O)C3=CC4=CC=CC=C4C=C3 |
| InChIKey | ICNBKOPGOOCFKP-UHFFFAOYSA-N |
Product Overview
5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole (CAS 379246-56-7), with molecular formula C18H14O4S and molecular weight 326.06 g/mol. IUPAC: 5-(naphthalen-2-ylsulfonylmethyl)-1,3-benzodioxole.
Chemical Property Profile of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole
Property Insights of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole
The XLogP value of 3.7 indicates that 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole 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 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole?
The CAS number of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole is 379246-56-7.
What is the molecular formula of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole?
The molecular formula of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole is C18H14O4S.
What is the molecular weight of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole?
The molecular weight of 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole is 326.06 g/mol.
Where can I buy 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole?
You can request a quote for 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(naphthalene-2-sulfonyl)methyl]-2H-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.