Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide
TL;DR: Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide (CAS 178875-14-4) is a chemical compound with molecular formula C20H20OS and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dibenzyl-2,5-dimethylthiophene 1-oxide
Also Known As: 3,5-dimethylthiophene-S-oxide, 3,4-dibenzyl-2,5-dimethylthiophene 1-oxide, NCI60_038487, 2,5-Dimethyl-3,4-dibenzylthiophene 1-oxide, 3,4-Dibenzyl-2,5-dimethylthiophene-S-oxide
| Molecular Formula | C20H20OS |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.12347 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 178875-14-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | WYGKLUBPLMTKQG-UHFFFAOYSA-N |
Product Overview
Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide (CAS 178875-14-4), with molecular formula C20H20OS and molecular weight 308.12 g/mol. IUPAC: 3,4-dibenzyl-2,5-dimethylthiophene 1-oxide.
Chemical Property Profile of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide
Property Insights of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide
The XLogP value of 4.6 indicates that Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide 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 Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide?
The CAS number of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide is 178875-14-4.
What is the molecular formula of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide?
The molecular formula of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide is C20H20OS.
What is the molecular weight of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide?
The molecular weight of Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide is 308.12 g/mol.
Where can I buy Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide?
You can request a quote for Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2,5-dimethyl-3,4-bis(phenylmethyl)-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.