YM 16638
TL;DR: YM 16638 (CAS 104073-72-5) is a chemical compound with molecular formula C18H22N2O5S3 and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
Also Known As: ACETIC ACID, 2-((5-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)-, Acetic acid, ((5-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)thio)-1,3,4-thiadiazol-2-yl)thio)-, ((5-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetic acid, 2-[[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid, [[5-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]thio]-1,3,4-thiadiazol-2-yl]thio]acetic acid
| Molecular Formula | C18H22N2O5S3 |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 442.0691 |
| Heavy Atoms | 28 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 104073-72-5 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SCC(=O)O |
| InChIKey | RRUNJEUMTFLLDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
YM 16638 (CAS 104073-72-5), with molecular formula C18H22N2O5S3 and molecular weight 442.07 g/mol. IUPAC: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of YM 16638
Property Insights of YM 16638
The XLogP value of 4.9 indicates that YM 16638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting YM 16638 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM 16638 has 2 hydrogen bond donor(s) and 10 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 YM 16638?
The CAS number of YM 16638 is 104073-72-5.
What is the molecular formula of YM 16638?
The molecular formula of YM 16638 is C18H22N2O5S3.
What is the molecular weight of YM 16638?
The molecular weight of YM 16638 is 442.07 g/mol.
Where can I buy YM 16638?
You can request a quote for YM 16638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM 16638?
Yes, KEHONG BIO provides custom synthesis services for YM 16638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.