Maybridge1_004602
TL;DR: Maybridge1_004602 (CAS 172516-45-9) is a chemical compound with molecular formula C20H22O3S2 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
Also Known As: Maybridge1_004602, ethyl 3-(benzylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate, ethyl 3-benzylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate, Ethyl 3-benzylthio-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo(c)thiophene-1-carboxylate, ethyl 3-(benzylsulfanyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
| Molecular Formula | C20H22O3S2 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 5.3722 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.10104 |
| Heavy Atoms | 25 |
| Complexity | 790.77264 |
Chemical Identifiers
| CAS Number | 172516-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=CC=CC=C3)(C)C |
Product Overview
Maybridge1_004602 (CAS 172516-45-9), with molecular formula C20H22O3S2 and molecular weight 374.10 g/mol. IUPAC: ethyl 3-benzylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate.
Chemical Property Profile of Maybridge1_004602
Property Insights of Maybridge1_004602
The XLogP value of 5.3722 indicates that Maybridge1_004602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Maybridge1_004602 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Maybridge1_004602 has 0 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 Maybridge1_004602?
The CAS number of Maybridge1_004602 is 172516-45-9.
What is the molecular formula of Maybridge1_004602?
The molecular formula of Maybridge1_004602 is C20H22O3S2.
What is the molecular weight of Maybridge1_004602?
The molecular weight of Maybridge1_004602 is 374.10 g/mol.
Where can I buy Maybridge1_004602?
You can request a quote for Maybridge1_004602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge1_004602?
Yes, KEHONG BIO provides custom synthesis services for Maybridge1_004602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.