1-(Benzylsulfonyl)-4-neopentylbenzene
TL;DR: 1-(Benzylsulfonyl)-4-neopentylbenzene (CAS 102212-05-5) is a chemical compound with molecular formula C18H22O2S and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonyl-4-(2,2-dimethylpropyl)benzene
Also Known As: benzyl 4-(neopentyl)phenyl sulfone, 1-(benzylsulfonyl)-4-neopentylbenzene, 1-benzylsulfonyl-4-(2,2-dimethylpropyl)benzene
| Molecular Formula | C18H22O2S |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.2491 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.13406 |
| Heavy Atoms | 21 |
| Complexity | 678.2482 |
Chemical Identifiers
| CAS Number | 102212-05-5 |
|---|---|
| SMILES | CC(C)(C)CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2 |
Product Overview
1-(Benzylsulfonyl)-4-neopentylbenzene (CAS 102212-05-5), with molecular formula C18H22O2S and molecular weight 302.13 g/mol. IUPAC: 1-benzylsulfonyl-4-(2,2-dimethylpropyl)benzene.
Chemical Property Profile of 1-(Benzylsulfonyl)-4-neopentylbenzene
Property Insights of 1-(Benzylsulfonyl)-4-neopentylbenzene
The XLogP value of 4.2491 indicates that 1-(Benzylsulfonyl)-4-neopentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1-(Benzylsulfonyl)-4-neopentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylsulfonyl)-4-neopentylbenzene has 0 hydrogen bond donor(s) and 2 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 1-(Benzylsulfonyl)-4-neopentylbenzene?
The CAS number of 1-(Benzylsulfonyl)-4-neopentylbenzene is 102212-05-5.
What is the molecular formula of 1-(Benzylsulfonyl)-4-neopentylbenzene?
The molecular formula of 1-(Benzylsulfonyl)-4-neopentylbenzene is C18H22O2S.
What is the molecular weight of 1-(Benzylsulfonyl)-4-neopentylbenzene?
The molecular weight of 1-(Benzylsulfonyl)-4-neopentylbenzene is 302.13 g/mol.
Where can I buy 1-(Benzylsulfonyl)-4-neopentylbenzene?
You can request a quote for 1-(Benzylsulfonyl)-4-neopentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylsulfonyl)-4-neopentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylsulfonyl)-4-neopentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.