11J-902
TL;DR: 11J-902 (CAS 1007030-10-5) is a chemical compound with molecular formula C19H18ClN5O3S3 and molecular weight 495.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one
Also Known As: 11J-902, [4,5'-Bi-1H-pyrazol]-5-ol, 1-[4-(3-chloro-2-thienyl)-2-thiazolyl]-3,3'-dimethyl-1'-(tetrahydro-1,1-dioxido-3-thienyl)-, 2-[4-(3-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one, BI-4-{1-[4-(3-chloro-2-thienyl)-1,3-thiazol-2-yl]-3-methyl-1H-5-pyrazolol}-5'[1-(1,1-dioxotetrahydro-1H-1lambda~6~thiophen-3-yl)-3-methyl-1H-pyrazole], (4E)-2-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-ylidene]-5-methylpyrazol-3-one
| Molecular Formula | C19H18ClN5O3S3 |
|---|---|
| Molecular Weight | 495.03 g/mol |
| LogP | 3.84394 |
| Topological Polar Surface Area | 102.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.02603 |
| Heavy Atoms | 31 |
| Complexity | 1456.784 |
Chemical Identifiers
| CAS Number | 1007030-10-5 |
|---|---|
| SMILES | CC1=NN(C(=C1)C2=C(NN(C2=O)C3=NC(=CS3)C4=C(C=CS4)Cl)C)C5CCS(=O)(=O)C5 |
Product Overview
11J-902 (CAS 1007030-10-5), with molecular formula C19H18ClN5O3S3 and molecular weight 495.03 g/mol. IUPAC: 2-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 11J-902
Property Insights of 11J-902
The XLogP value of 3.84394 indicates that 11J-902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 11J-902. Following Lipinski's Rule of Five, 11J-902 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 11J-902?
The CAS number of 11J-902 is 1007030-10-5.
What is the molecular formula of 11J-902?
The molecular formula of 11J-902 is C19H18ClN5O3S3.
What is the molecular weight of 11J-902?
The molecular weight of 11J-902 is 495.03 g/mol.
Where can I buy 11J-902?
You can request a quote for 11J-902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11J-902?
Yes, KEHONG BIO provides custom synthesis services for 11J-902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.