AE-848/13008301
TL;DR: AE-848/13008301 (CAS 380644-80-4) is a chemical compound with molecular formula C21H28N2OS and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methylfuran-2-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Also Known As: AE-848/13008301, 2-[(5-methylfuran-2-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-{[(5-methyl-2-furyl)methyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-(((5-methylfuran-2-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-{[(5-methylfuran-2-yl)methyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 6.3527 |
| Topological Polar Surface Area | 48.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.19223 |
| Heavy Atoms | 25 |
| Complexity | 722.82196 |
Chemical Identifiers
| CAS Number | 380644-80-4 |
|---|---|
| SMILES | CC1=CC=C(O1)CNC2=C(C3=C(S2)CCCCCCCCCC3)C#N |
Product Overview
AE-848/13008301 (CAS 380644-80-4), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: 2-[(5-methylfuran-2-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile.
Chemical Property Profile of AE-848/13008301
Property Insights of AE-848/13008301
The XLogP value of 6.3527 indicates that AE-848/13008301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.96 Ų, AE-848/13008301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/13008301 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/13008301?
The CAS number of AE-848/13008301 is 380644-80-4.
What is the molecular formula of AE-848/13008301?
The molecular formula of AE-848/13008301 is C21H28N2OS.
What is the molecular weight of AE-848/13008301?
The molecular weight of AE-848/13008301 is 356.19 g/mol.
Where can I buy AE-848/13008301?
You can request a quote for AE-848/13008301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/13008301?
Yes, KEHONG BIO provides custom synthesis services for AE-848/13008301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.