1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-
TL;DR: 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- (CAS 100310-93-8) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methoxy-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-, 5-Methoxy-6-(2-oxazolin-2-ylamino)-1,3-benzodioxole, 2-(6-Methoxy-3,4-methylenedioxyanilino)-2-oxazoline, N-(6-METHOXY-2H-1,3-BENZODIOXOL-5-YL)-4,5-DIHYDRO-1,3-OXAZOL-2-AMINE, N-(6-methoxy-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 100310-93-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1NC3=NCCO3)OCO2 |
| InChIKey | ZZJYHQMEAQTVPF-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- (CAS 100310-93-8), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: N-(6-methoxy-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-
Property Insights of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- has 1 hydrogen bond donor(s) and 5 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-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-?
The CAS number of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- is 100310-93-8.
What is the molecular formula of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-?
The molecular formula of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- is C11H12N2O4.
What is the molecular weight of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-?
The molecular weight of 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- is 236.08 g/mol.
Where can I buy 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-?
You can request a quote for 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.