Chiauranib
TL;DR: Chiauranib (CAS 1256349-48-0) is a chemical compound with molecular formula C27H34N2O4S and molecular weight 482.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[cyclohexyl-(4-methylbenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Chiauranib, BAS 01248734, Ethyl 2-(2-(N-cyclohexyl-4-methylbenzamido)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-{2-[Cyclohexyl-(4-methyl-benzoyl)-amino]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl 2-[[2-[cyclohexyl-(4-methylbenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H34N2O4S |
|---|---|
| Molecular Weight | 482.22 g/mol |
| LogP | 5.52562 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.22394 |
| Heavy Atoms | 34 |
| Complexity | 1037.6447 |
Chemical Identifiers
| CAS Number | 1256349-48-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3CCCCC3)C(=O)C4=CC=C(C=C4)C |
Product Overview
Chiauranib (CAS 1256349-48-0), with molecular formula C27H34N2O4S and molecular weight 482.22 g/mol. IUPAC: ethyl 2-[[2-[cyclohexyl-(4-methylbenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Chiauranib
Property Insights of Chiauranib
The XLogP value of 5.52562 indicates that Chiauranib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Chiauranib. Following Lipinski's Rule of Five, Chiauranib has 1 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 Chiauranib?
The CAS number of Chiauranib is 1256349-48-0.
What is the molecular formula of Chiauranib?
The molecular formula of Chiauranib is C27H34N2O4S.
What is the molecular weight of Chiauranib?
The molecular weight of Chiauranib is 482.22 g/mol.
Where can I buy Chiauranib?
You can request a quote for Chiauranib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chiauranib?
Yes, KEHONG BIO provides custom synthesis services for Chiauranib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.