UC-38 deriv.
TL;DR: UC-38 deriv. (CAS 135813-22-8) is a chemical compound with molecular formula C14H19NO3S2 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-5-(propan-2-yloxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 5-(((1-methylethoxy)thioxomethyl)amino)-2-(methylthio)-, ethyl ester, ethyl 2-methylsulfanyl-5-(propan-2-yloxycarbothioylamino)benzoate, ethyl 5-(isopropoxycarbothioylamino)-2-methylsulfanyl-benzoate
| Molecular Formula | C14H19NO3S2 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.707 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.08063 |
| Heavy Atoms | 20 |
| Complexity | 489.3074 |
Chemical Identifiers
| CAS Number | 135813-22-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)SC |
Product Overview
UC-38 deriv. (CAS 135813-22-8), with molecular formula C14H19NO3S2 and molecular weight 313.08 g/mol. IUPAC: ethyl 2-methylsulfanyl-5-(propan-2-yloxycarbothioylamino)benzoate.
Chemical Property Profile of UC-38 deriv.
Property Insights of UC-38 deriv.
The XLogP value of 3.707 indicates that UC-38 deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, UC-38 deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UC-38 deriv. has 1 hydrogen bond donor(s) and 5 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 UC-38 deriv.?
The CAS number of UC-38 deriv. is 135813-22-8.
What is the molecular formula of UC-38 deriv.?
The molecular formula of UC-38 deriv. is C14H19NO3S2.
What is the molecular weight of UC-38 deriv.?
The molecular weight of UC-38 deriv. is 313.08 g/mol.
Where can I buy UC-38 deriv.?
You can request a quote for UC-38 deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UC-38 deriv.?
Yes, KEHONG BIO provides custom synthesis services for UC-38 deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.