N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺
TL;DR: N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 (CAS 64654-11-1) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺
N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
Also Known As: N-Allyl-3,4- benzamide, N-Allyl-3,4-(methylenedioxy)benzamide, N-allyl-1,3-benzodioxole-5-carboxamide, N-prop-2-enyl-1,3-benzodioxole-5-carboxamide, BENZAMIDE, N-ALLYL-3,4-(METHYLENEDIOXY)-
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 64654-11-1 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | DCGRVDRVJLOBOB-UHFFFAOYSA-N |
Product Overview
N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 (CAS 64654-11-1), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺
Property Insights of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺. With a topological polar surface area (TPSA) of 47.6 Ų, N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 has 1 hydrogen bond donor(s) and 3 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 N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺?
The CAS number of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 is 64654-11-1.
What is the molecular formula of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺?
The molecular formula of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 is C11H11NO3.
What is the molecular weight of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺?
The molecular weight of N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 is 205.07 g/mol.
Where can I buy N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺?
You can request a quote for N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-烯丙基-1,3-苯并二氧戊环-5-甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.