Zelpolib
TL;DR: Zelpolib (CAS 701932-26-5) is a chemical compound with molecular formula C22H21N3O5S2 and molecular weight 471.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: Zelpolib, Zelpolib?, Methyl 2-(2-(3-(3,4-dihydroxyphenyl)propanoyl)hydrazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate, methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate, methyl 2-[({[3-(3,4-dihydroxyphenyl)propanoylamino]amino}thioxomethyl)amino]-5 -phenylthiophene-3-carboxylate
| Molecular Formula | C22H21N3O5S2 |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 3.5633 |
| Topological Polar Surface Area | 119.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.09225 |
| Heavy Atoms | 32 |
| Complexity | 1131.8499 |
Chemical Identifiers
| CAS Number | 701932-26-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CCC3=CC(=C(C=C3)O)O |
Product Overview
Zelpolib (CAS 701932-26-5), with molecular formula C22H21N3O5S2 and molecular weight 471.09 g/mol. IUPAC: methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of Zelpolib
Property Insights of Zelpolib
The XLogP value of 3.5633 indicates that Zelpolib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Zelpolib. Following Lipinski's Rule of Five, Zelpolib has 5 hydrogen bond donor(s) and 7 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 Zelpolib?
The CAS number of Zelpolib is 701932-26-5.
What is the molecular formula of Zelpolib?
The molecular formula of Zelpolib is C22H21N3O5S2.
What is the molecular weight of Zelpolib?
The molecular weight of Zelpolib is 471.09 g/mol.
Where can I buy Zelpolib?
You can request a quote for Zelpolib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zelpolib?
Yes, KEHONG BIO provides custom synthesis services for Zelpolib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.