N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺
TL;DR: N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 (CAS 128767-12-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺
1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine
Also Known As: MBDB, Eden, Methyl-j, MBDB (hydrochloride), N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 128767-12-4 |
|---|---|
| SMILES | CCC(CC1=CC2=C(C=C1)OCO2)NC |
| InChIKey | USWVWJSAJAEEHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 (CAS 128767-12-4), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine.
Chemical Property Profile of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺
Property Insights of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺. With a topological polar surface area (TPSA) of 30.5 Ų, N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 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-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺?
The CAS number of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 is 128767-12-4.
What is the molecular formula of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺?
The molecular formula of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 is C12H17NO2.
What is the molecular weight of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺?
The molecular weight of N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 is 207.13 g/mol.
Where can I buy N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺?
You can request a quote for N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-1-(1,3-苯并二氧杂环戊-5-基)-2-丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.