1X-0307
TL;DR: 1X-0307 (CAS 861207-35-4) is a chemical compound with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-3-methyl-2-quinolin-8-ylsulfonyl-1H-pyrazol-5-one
Also Known As: 1X-0307, 4-(2-hydroxyethyl)-5-methyl-1-(8-quinolinylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one, 4-(2-hydroxyethyl)-3-methyl-2-quinolin-8-ylsulfonyl-1H-pyrazol-5-one, 4-(2-hydroxyethyl)-5-methyl-1-(quinoline-8-sulfonyl)-2,3-dihydro-1H-pyrazol-3-one, 4-(2-hydroxyethyl)-5-methyl-1-(quinoline-8-sulfonyl)-2H-pyrazol-3-one
| Molecular Formula | C15H15N3O4S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 0.80482 |
| Topological Polar Surface Area | 105.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.07834 |
| Heavy Atoms | 23 |
| Complexity | 1029.0518 |
Chemical Identifiers
| CAS Number | 861207-35-4 |
|---|---|
| SMILES | CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CCO |
Product Overview
1X-0307 (CAS 861207-35-4), with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol. IUPAC: 4-(2-hydroxyethyl)-3-methyl-2-quinolin-8-ylsulfonyl-1H-pyrazol-5-one.
Chemical Property Profile of 1X-0307
Property Insights of 1X-0307
The XLogP value of 0.80482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1X-0307. The TPSA of 105.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1X-0307. Following Lipinski's Rule of Five, 1X-0307 has 2 hydrogen bond donor(s) and 5 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 1X-0307?
The CAS number of 1X-0307 is 861207-35-4.
What is the molecular formula of 1X-0307?
The molecular formula of 1X-0307 is C15H15N3O4S.
What is the molecular weight of 1X-0307?
The molecular weight of 1X-0307 is 333.08 g/mol.
Where can I buy 1X-0307?
You can request a quote for 1X-0307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1X-0307?
Yes, KEHONG BIO provides custom synthesis services for 1X-0307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.