NCIOpen2_007540
TL;DR: NCIOpen2_007540 (CAS 6623-74-1) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid
Also Known As: NCIOpen2_007540, Benzoicacid, 2-[[2-[[[2-hydroxy-6-methyl-3-(1-methylethyl)phenyl]amino]thioxomethyl]hydrazinylidene]methyl]-, Dibenzo[d,f][1,2]dioxocin,5,8-dihydro-5,8-dimethoxy, 2-[(Z)-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)carbamothioy, 2-[(Z)-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.84272 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 863.103 |
Chemical Identifiers
| CAS Number | 6623-74-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)O)NC(=S)NN=CC2=CC=CC=C2C(=O)O |
Product Overview
NCIOpen2_007540 (CAS 6623-74-1), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: 2-[[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of NCIOpen2_007540
Property Insights of NCIOpen2_007540
The XLogP value of 3.84272 indicates that NCIOpen2_007540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007540. Following Lipinski's Rule of Five, NCIOpen2_007540 has 4 hydrogen bond donor(s) and 4 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 NCIOpen2_007540?
The CAS number of NCIOpen2_007540 is 6623-74-1.
What is the molecular formula of NCIOpen2_007540?
The molecular formula of NCIOpen2_007540 is C19H21N3O3S.
What is the molecular weight of NCIOpen2_007540?
The molecular weight of NCIOpen2_007540 is 371.13 g/mol.
Where can I buy NCIOpen2_007540?
You can request a quote for NCIOpen2_007540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007540?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.