rel-((2R,3S)-Butane-2,3-diyl)dibenzene
TL;DR: rel-((2R,3S)-Butane-2,3-diyl)dibenzene (CAS 4613-11-0) is a chemical compound with molecular formula C16H18 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R)-3-phenylbutan-2-yl]benzene
Also Known As: (2R,3S)-2,3-Diphenylbutane, (2S,3R)-2,3-Diphenylbutane, [(2R,3S)-3-phenylbutan-2-yl]benzene, [(2S,3R)-3-phenylbutan-2-yl]benzene, [(2S,3R)-Butane-2,3-diyl]bisbenzene
| Molecular Formula | C16H18 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.14085 |
| Heavy Atoms | 16 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 4613-11-0 |
|---|---|
| SMILES | C[C@H](C1=CC=CC=C1)[C@@H](C)C2=CC=CC=C2 |
| InChIKey | NGCFVIRRWORSML-OKILXGFUSA-N |
Product Overview
rel-((2R,3S)-Butane-2,3-diyl)dibenzene (CAS 4613-11-0), with molecular formula C16H18 and molecular weight 210.14 g/mol. IUPAC: [(2S,3R)-3-phenylbutan-2-yl]benzene.
Chemical Property Profile of rel-((2R,3S)-Butane-2,3-diyl)dibenzene
Property Insights of rel-((2R,3S)-Butane-2,3-diyl)dibenzene
The XLogP value of 4.8 indicates that rel-((2R,3S)-Butane-2,3-diyl)dibenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, rel-((2R,3S)-Butane-2,3-diyl)dibenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-((2R,3S)-Butane-2,3-diyl)dibenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rel-((2R,3S)-Butane-2,3-diyl)dibenzene?
The CAS number of rel-((2R,3S)-Butane-2,3-diyl)dibenzene is 4613-11-0.
What is the molecular formula of rel-((2R,3S)-Butane-2,3-diyl)dibenzene?
The molecular formula of rel-((2R,3S)-Butane-2,3-diyl)dibenzene is C16H18.
What is the molecular weight of rel-((2R,3S)-Butane-2,3-diyl)dibenzene?
The molecular weight of rel-((2R,3S)-Butane-2,3-diyl)dibenzene is 210.14 g/mol.
Where can I buy rel-((2R,3S)-Butane-2,3-diyl)dibenzene?
You can request a quote for rel-((2R,3S)-Butane-2,3-diyl)dibenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-((2R,3S)-Butane-2,3-diyl)dibenzene?
Yes, KEHONG BIO provides custom synthesis services for rel-((2R,3S)-Butane-2,3-diyl)dibenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.