A-331440
TL;DR: A-331440 (CAS 392338-13-5) is a chemical compound with molecular formula C22H27N3O and molecular weight 349.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile
Also Known As: A-331440 dihydrochloride, A-331440 L-tartrate hydrate, 392338-13-5 (free base), SID:202535704, 4'-(3-((3R)-3-(Dimethylamino)pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-carbonitrile
| Molecular Formula | C22H27N3O |
|---|---|
| Molecular Weight | 349.22 g/mol |
| LogP | 3.63008 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.21542 |
| Heavy Atoms | 26 |
| Complexity | 731.47784 |
Chemical Identifiers
| CAS Number | 392338-13-5 |
|---|---|
| SMILES | CN(C)[C@@H]1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
Product Overview
A-331440 (CAS 392338-13-5), with molecular formula C22H27N3O and molecular weight 349.22 g/mol. IUPAC: 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile.
Chemical Property Profile of A-331440
Property Insights of A-331440
The XLogP value of 3.63008 indicates that A-331440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.5 Ų, A-331440 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-331440 has 0 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 A-331440?
The CAS number of A-331440 is 392338-13-5.
What is the molecular formula of A-331440?
The molecular formula of A-331440 is C22H27N3O.
What is the molecular weight of A-331440?
The molecular weight of A-331440 is 349.22 g/mol.
Where can I buy A-331440?
You can request a quote for A-331440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-331440?
Yes, KEHONG BIO provides custom synthesis services for A-331440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.