Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate
TL;DR: Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate (CAS 485318-54-5) is a chemical compound with molecular formula C25H26O3S and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate
Also Known As: methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate, AA-516/30041045, methyl 4-(benzylsulfanyl)-5-hydroxy-3,5-diphenylpentanoate, Pentonic acid, 2,3-dideoxy-3-phenyl-5-C-phenyl-4-S-(phenylmethyl)-4-thio-, methyl ester, Methyl 4-S-benzyl-2,3-dideoxy-3-phenyl-5-C-phenyl-4-thiopentonate
| Molecular Formula | C25H26O3S |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 5.3689 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.16028 |
| Heavy Atoms | 29 |
| Complexity | 868.3448 |
Chemical Identifiers
| CAS Number | 485318-54-5 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)O)SCC3=CC=CC=C3 |
Product Overview
Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate (CAS 485318-54-5), with molecular formula C25H26O3S and molecular weight 406.16 g/mol. IUPAC: methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate.
Chemical Property Profile of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate
Property Insights of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate
The XLogP value of 5.3689 indicates that Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate?
The CAS number of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate is 485318-54-5.
What is the molecular formula of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate?
The molecular formula of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate is C25H26O3S.
What is the molecular weight of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate?
The molecular weight of Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate is 406.16 g/mol.
Where can I buy Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate?
You can request a quote for Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.