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Betapressin structure
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Betapressin

TL;DR: Betapressin (CAS 139369-66-7) is a chemical compound with molecular formula C18H31NO6S and molecular weight 389.1872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;sulfuric acid

Also Known As: PENBUTOLOL SULFATE, Betapressin, Levatol, (-)-Terbuclomine, Penbutolol sulfato

CAS Number
139369-66-7
Molecular Formula
C18H31NO6S
Molecular Weight
389.1872 g/mol
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Technical Specifications

Molecular FormulaC18H31NO6S
Molecular Weight389.1872 g/mol
XLogP2.8192
Topological Polar Surface Area (TPSA)124.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass389.1872 Da
Heavy Atoms26
Complexity375.0
SMILESCC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O
InChIKeyKTXVDQNRHZQBOR-RSAXXLAASA-N

Chemical Property Profile of Betapressin

XLogP
2.8192
TPSA (Topological Polar Surface Area)
124.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
26
Complexity
375.0
Exact Mass
389.1872
Monoisotopic Mass
389.1872
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 Betapressin

The XLogP value of 2.8192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betapressin. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Betapressin. Following Lipinski's Rule of Five, Betapressin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Betapressin?

The CAS number of Betapressin is 139369-66-7.

What is the molecular formula of Betapressin?

The molecular formula of Betapressin is C18H31NO6S.

What is the molecular weight of Betapressin?

The molecular weight of Betapressin is 389.1872 g/mol.

Where can I buy Betapressin?

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

Does CoreyChem offer custom synthesis for Betapressin?

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

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