1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate
TL;DR: 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate (CAS 6976-55-2) is a chemical compound with molecular formula C19H14O4 and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl naphthalene-1-carboxylate
Also Known As: 1,3-benzodioxol-5-ylmethyl naphthalene-1-carboxylate, KST-1B9116, phenyl(2-chloroethyl)nitrosocarbamate, (2H-1,3-Benzodioxol-5-yl)methyl naphthalene-1-carboxylate
| Molecular Formula | C19H14O4 |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0892 |
| Heavy Atoms | 23 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 6976-55-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=CC4=CC=CC=C43 |
| InChIKey | WAQRGXFNOVQNMA-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate (CAS 6976-55-2), with molecular formula C19H14O4 and molecular weight 306.09 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl naphthalene-1-carboxylate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate
Property Insights of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate
The XLogP value of 4.3 indicates that 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate 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 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate?
The CAS number of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate is 6976-55-2.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate is C19H14O4.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate is 306.09 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.