C23H21N3O5S
TL;DR: C23H21N3O5S (CAS 29637-29-4) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-[4-[4-(3-ethyl-2(3H)-benzoxazolylidene)-2-butenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-[4-[4-(3-ethyl-benzoxazol-2(3H)-ylidene)buten-2-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid, Benzenesulfonic acid, 4-(4-(4-(3-ethyl-2(3H)-benzoxazolylidene)-2-buten-1-ylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-(4-(4-(3-ethyl-2(3H)-benzoxazolylidene)-2-butenylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid,4-[4-[4-(3-ethyl-2(3H)-benzoxazolylidene)-2-buten-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 955.0 |
Chemical Identifiers
| CAS Number | 29637-29-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C |
| InChIKey | ORAPKIMSYPKJRA-UHFFFAOYSA-N |
Product Overview
C23H21N3O5S (CAS 29637-29-4), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: 4-[4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of C23H21N3O5S
Property Insights of C23H21N3O5S
The XLogP value of 3.4 indicates that C23H21N3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H21N3O5S. Following Lipinski's Rule of Five, C23H21N3O5S has 1 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 C23H21N3O5S?
The CAS number of C23H21N3O5S is 29637-29-4.
What is the molecular formula of C23H21N3O5S?
The molecular formula of C23H21N3O5S is C23H21N3O5S.
What is the molecular weight of C23H21N3O5S?
The molecular weight of C23H21N3O5S is 451.12 g/mol.
Where can I buy C23H21N3O5S?
You can request a quote for C23H21N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H21N3O5S?
Yes, KEHONG BIO provides custom synthesis services for C23H21N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.