6P-516S
TL;DR: 6P-516S (CAS 478063-30-8) is a chemical compound with molecular formula C23H27ClN2OS2 and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]phenol
Also Known As: 6P-516S, 2,6-di(tert-butyl)-4-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzenol, 2,6-di-tert-butyl-4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)phenol, 2,6-ditert-butyl-4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]phenol, 2,6-ditert-butyl-4-[5-[(4-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C23H27ClN2OS2 |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 7.4514 |
| Topological Polar Surface Area | 46.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.12534 |
| Heavy Atoms | 29 |
| Complexity | 963.9478 |
Chemical Identifiers
| CAS Number | 478063-30-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN=C(S2)SCC3=CC=C(C=C3)Cl |
Product Overview
6P-516S (CAS 478063-30-8), with molecular formula C23H27ClN2OS2 and molecular weight 446.13 g/mol. IUPAC: 2,6-ditert-butyl-4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]phenol.
Chemical Property Profile of 6P-516S
Property Insights of 6P-516S
The XLogP value of 7.4514 indicates that 6P-516S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.01 Ų, 6P-516S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6P-516S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6P-516S?
The CAS number of 6P-516S is 478063-30-8.
What is the molecular formula of 6P-516S?
The molecular formula of 6P-516S is C23H27ClN2OS2.
What is the molecular weight of 6P-516S?
The molecular weight of 6P-516S is 446.13 g/mol.
Where can I buy 6P-516S?
You can request a quote for 6P-516S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6P-516S?
Yes, KEHONG BIO provides custom synthesis services for 6P-516S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.