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RefChem:311771 structure
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RefChem:311771

TL;DR: RefChem:311771 (CAS 116966-97-3) is a chemical compound with molecular formula C27H35N3O3 and molecular weight 449.26785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

8-[4-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

Also Known As: 8-Azaspiro(4.5)decane-7,9-dione, 8-(4-(3,6-dihydro-4-(5-methoxy-1H-indol-3-yl)-1(2H)-pyridinyl)butyl)-, 8-[4-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione, 8-{4-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione

CAS Number
116966-97-3
Molecular Formula
C27H35N3O3
Molecular Weight
449.26785 g/mol
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Technical Specifications

Molecular FormulaC27H35N3O3
Molecular Weight449.26785 g/mol
XLogP3.9
Topological Polar Surface Area (TPSA)65.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds7
Exact Mass449.26785 Da
Heavy Atoms33
Complexity740.0
SMILESCOC1=CC2=C(C=C1)NC=C2C3=CCN(CC3)CCCCN4C(=O)CC5(CCCC5)CC4=O
InChIKeyIHKDLQGMVIQDTN-UHFFFAOYSA-N

Chemical Property Profile of RefChem:311771

XLogP
3.9
TPSA (Topological Polar Surface Area)
65.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
7
Heavy Atoms
33
Complexity
740.0
Exact Mass
449.26785
Monoisotopic Mass
449.26785
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of RefChem:311771

The XLogP value of 3.9 indicates that RefChem:311771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311771. Following Lipinski's Rule of Five, RefChem:311771 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of RefChem:311771?

The CAS number of RefChem:311771 is 116966-97-3.

What is the molecular formula of RefChem:311771?

The molecular formula of RefChem:311771 is C27H35N3O3.

What is the molecular weight of RefChem:311771?

The molecular weight of RefChem:311771 is 449.26785 g/mol.

Where can I buy RefChem:311771?

You can request a quote for RefChem:311771 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:311771?

Yes, CoreyChem provides custom synthesis services for RefChem:311771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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