Diamocaine
TL;DR: Diamocaine (CAS 27112-37-4) is a chemical compound with molecular formula C25H37N3O and molecular weight 395.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[2-(diethylamino)ethoxy]-4-phenylpiperidin-1-yl]ethyl]aniline
Also Known As: diamocaina, diamocainum, Diamocaine [INN:BAN], DIAMOCAINE [INN], N-[2-[4-[2-(diethylamino)ethoxy]-4-phenylpiperidin-1-yl]ethyl]aniline
| Molecular Formula | C25H37N3O |
|---|---|
| Molecular Weight | 395.29 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 395.29367 |
| Heavy Atoms | 29 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 27112-37-4 |
|---|---|
| SMILES | CCN(CC)CCOC1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | JSELIWGNAHBPAE-UHFFFAOYSA-N |
Product Overview
Diamocaine (CAS 27112-37-4), with molecular formula C25H37N3O and molecular weight 395.29 g/mol. IUPAC: N-[2-[4-[2-(diethylamino)ethoxy]-4-phenylpiperidin-1-yl]ethyl]aniline.
Chemical Property Profile of Diamocaine
Property Insights of Diamocaine
The XLogP value of 4.4 indicates that Diamocaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Diamocaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diamocaine has 1 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 Diamocaine?
The CAS number of Diamocaine is 27112-37-4.
What is the molecular formula of Diamocaine?
The molecular formula of Diamocaine is C25H37N3O.
What is the molecular weight of Diamocaine?
The molecular weight of Diamocaine is 395.29 g/mol.
Where can I buy Diamocaine?
You can request a quote for Diamocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diamocaine?
Yes, KEHONG BIO provides custom synthesis services for Diamocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.