3-O-Methyldobutamine
TL;DR: 3-O-Methyldobutamine (CAS 95231-14-4) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]-2-methoxyphenol
Also Known As: 3-O-Methyldobutamine, Dobutamine Impurity 1, Dobutamine Impurity 8, Dobutamine Impurity 14, DOBUTAMINE_met035
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 95231-14-4 |
|---|---|
| SMILES | CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)OC |
| InChIKey | OZOWSEZQQABCMM-UHFFFAOYSA-N |
Product Overview
3-O-Methyldobutamine (CAS 95231-14-4), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]-2-methoxyphenol.
Chemical Property Profile of 3-O-Methyldobutamine
Property Insights of 3-O-Methyldobutamine
The XLogP value of 3.1 indicates that 3-O-Methyldobutamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Methyldobutamine. Following Lipinski's Rule of Five, 3-O-Methyldobutamine has 3 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 3-O-Methyldobutamine?
The CAS number of 3-O-Methyldobutamine is 95231-14-4.
What is the molecular formula of 3-O-Methyldobutamine?
The molecular formula of 3-O-Methyldobutamine is C19H25NO3.
What is the molecular weight of 3-O-Methyldobutamine?
The molecular weight of 3-O-Methyldobutamine is 315.18 g/mol.
Where can I buy 3-O-Methyldobutamine?
You can request a quote for 3-O-Methyldobutamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Methyldobutamine?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Methyldobutamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.