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Prostephanaberrine structure
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Prostephanaberrine

TL;DR: Prostephanaberrine (CAS 115610-39-4) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(1R,11S,13S)-11-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,15-tetraen-14-one

Also Known As: Prostephanaberrine, (-)-Prostephanaberrine, KST-1A0732, HY-N1545, N-(azetidin-3-yl)methanesulfonamide

CAS Number
115610-39-4
Molecular Formula
C19H21NO5
Molecular Weight
343.14197 g/mol
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Technical Specifications

Molecular FormulaC19H21NO5
Molecular Weight343.14197 g/mol
XLogP1.7
Topological Polar Surface Area (TPSA)68.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds1
Exact Mass343.14197 Da
Heavy Atoms25
Complexity635.0
SMILESCN1CC[C@@]23[C@@]1(C[C@@H](C4=CC5=C(C=C42)OCO5)O)C(=O)C(=CC3)OC
InChIKeyAFTBFIOTWHPFTG-MJXNMMHHSA-N

Chemical Property Profile of Prostephanaberrine

XLogP
1.7
TPSA (Topological Polar Surface Area)
68.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
1
Heavy Atoms
25
Complexity
635.0
Exact Mass
343.14197
Monoisotopic Mass
343.14197
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 Prostephanaberrine

The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prostephanaberrine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Prostephanaberrine. Following Lipinski's Rule of Five, Prostephanaberrine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Prostephanaberrine?

The CAS number of Prostephanaberrine is 115610-39-4.

What is the molecular formula of Prostephanaberrine?

The molecular formula of Prostephanaberrine is C19H21NO5.

What is the molecular weight of Prostephanaberrine?

The molecular weight of Prostephanaberrine is 343.14197 g/mol.

Where can I buy Prostephanaberrine?

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

Does CoreyChem offer custom synthesis for Prostephanaberrine?

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

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