1-(3,4-亚甲二氧基苯基)-2-丁胺
TL;DR: 1-(3,4-亚甲二氧基苯基)-2-丁胺 (CAS 42542-07-4) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-亚甲二氧基苯基)-2-丁胺
1-(1,3-benzodioxol-5-yl)butan-2-amine
Also Known As: 1-Mdpba, 1-(3,4-Methylenedioxyphenyl)-2-butanamine, 1,3-Benzodioxolylbutanamine, Cefmepidium chloride, BDB (hydrochloride)
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 42542-07-4 |
|---|---|
| SMILES | CCC(CC1=CC2=C(C=C1)OCO2)N |
| InChIKey | VHMRXGAIDDCGDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-亚甲二氧基苯基)-2-丁胺 (CAS 42542-07-4), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)butan-2-amine.
Chemical Property Profile of 1-(3,4-亚甲二氧基苯基)-2-丁胺
Property Insights of 1-(3,4-亚甲二氧基苯基)-2-丁胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-亚甲二氧基苯基)-2-丁胺. With a topological polar surface area (TPSA) of 44.5 Ų, 1-(3,4-亚甲二氧基苯基)-2-丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-亚甲二氧基苯基)-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 1-(3,4-亚甲二氧基苯基)-2-丁胺?
The CAS number of 1-(3,4-亚甲二氧基苯基)-2-丁胺 is 42542-07-4.
What is the molecular formula of 1-(3,4-亚甲二氧基苯基)-2-丁胺?
The molecular formula of 1-(3,4-亚甲二氧基苯基)-2-丁胺 is C11H15NO2.
What is the molecular weight of 1-(3,4-亚甲二氧基苯基)-2-丁胺?
The molecular weight of 1-(3,4-亚甲二氧基苯基)-2-丁胺 is 193.11 g/mol.
Where can I buy 1-(3,4-亚甲二氧基苯基)-2-丁胺?
You can request a quote for 1-(3,4-亚甲二氧基苯基)-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 1-(3,4-亚甲二氧基苯基)-2-丁胺?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-亚甲二氧基苯基)-2-丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.