AE-848/13006032
TL;DR: AE-848/13006032 (CAS 342381-97-9) is a chemical compound with molecular formula C23H30N2O2S and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Also Known As: AE-848/13006032, 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-[(4-hydroxy-3-methoxybenzyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-((4-hydroxy-3-methoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
| Molecular Formula | C23H30N2O2S |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 6.16548 |
| Topological Polar Surface Area | 65.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.2028 |
| Heavy Atoms | 28 |
| Complexity | 822.7403 |
Chemical Identifiers
| CAS Number | 342381-97-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CNC2=C(C3=C(S2)CCCCCCCCCC3)C#N)O |
Product Overview
AE-848/13006032 (CAS 342381-97-9), with molecular formula C23H30N2O2S and molecular weight 398.20 g/mol. IUPAC: 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile.
Chemical Property Profile of AE-848/13006032
Property Insights of AE-848/13006032
The XLogP value of 6.16548 indicates that AE-848/13006032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/13006032. Following Lipinski's Rule of Five, AE-848/13006032 has 2 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-848/13006032?
The CAS number of AE-848/13006032 is 342381-97-9.
What is the molecular formula of AE-848/13006032?
The molecular formula of AE-848/13006032 is C23H30N2O2S.
What is the molecular weight of AE-848/13006032?
The molecular weight of AE-848/13006032 is 398.20 g/mol.
Where can I buy AE-848/13006032?
You can request a quote for AE-848/13006032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/13006032?
Yes, KEHONG BIO provides custom synthesis services for AE-848/13006032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.