AE-848/15341098
TL;DR: AE-848/15341098 (CAS 397874-97-4) is a chemical compound with molecular formula C26H26ClN3O2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: AE-848/15341098, 2-amino-4-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-amino-4-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-AMINO-4-{4-[(3-CHLOROBENZYL)OXY]-3-METHOXYPHENYL}-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[B]PYRIDIN-3-YL CYANIDE
| Molecular Formula | C26H26ClN3O2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 6.10248 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.17136 |
| Heavy Atoms | 32 |
| Complexity | 1170.4641 |
Chemical Identifiers
| CAS Number | 397874-97-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)OCC4=CC(=CC=C4)Cl |
Product Overview
AE-848/15341098 (CAS 397874-97-4), with molecular formula C26H26ClN3O2 and molecular weight 447.17 g/mol. IUPAC: 2-amino-4-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of AE-848/15341098
Property Insights of AE-848/15341098
The XLogP value of 6.10248 indicates that AE-848/15341098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/15341098. Following Lipinski's Rule of Five, AE-848/15341098 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/15341098?
The CAS number of AE-848/15341098 is 397874-97-4.
What is the molecular formula of AE-848/15341098?
The molecular formula of AE-848/15341098 is C26H26ClN3O2.
What is the molecular weight of AE-848/15341098?
The molecular weight of AE-848/15341098 is 447.17 g/mol.
Where can I buy AE-848/15341098?
You can request a quote for AE-848/15341098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/15341098?
Yes, KEHONG BIO provides custom synthesis services for AE-848/15341098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.