RefChem:239215
TL;DR: RefChem:239215 (CAS 116870-76-9) is a chemical compound with molecular formula C25H36ClN3O and molecular weight 429.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]-3H-isoindol-1-one;hydrochloride
Also Known As: 2-(Di-n-butylaminopropyl)-3-(2-aminophenyl)isoindolin-1-one hydrochloride dihydrate, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(3-(dibutylamino)propyl)-, hydrochloride, hydrate (1:1:2), 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]-3H-isoindol-1-one hydrochloride, 3-(2-Aminophenyl)-2-[3-(dibutylamino)propyl]-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/1), RefChem:239215
| Molecular Formula | C25H36ClN3O |
|---|---|
| Molecular Weight | 429.25 g/mol |
| LogP | 5.5281 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 429.2547 |
| Heavy Atoms | 30 |
| Complexity | 802.48566 |
Chemical Identifiers
| CAS Number | 116870-76-9 |
|---|---|
| SMILES | CCCCN(CCCC)CCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.Cl |
Product Overview
RefChem:239215 (CAS 116870-76-9), with molecular formula C25H36ClN3O and molecular weight 429.25 g/mol. IUPAC: 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]-3H-isoindol-1-one;hydrochloride.
Chemical Property Profile of RefChem:239215
Property Insights of RefChem:239215
The XLogP value of 5.5281 indicates that RefChem:239215 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, RefChem:239215 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239215 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239215?
The CAS number of RefChem:239215 is 116870-76-9.
What is the molecular formula of RefChem:239215?
The molecular formula of RefChem:239215 is C25H36ClN3O.
What is the molecular weight of RefChem:239215?
The molecular weight of RefChem:239215 is 429.25 g/mol.
Where can I buy RefChem:239215?
You can request a quote for RefChem:239215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239215?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.