Hsd17B13-IN-3
TL;DR: Hsd17B13-IN-3 (CAS 313259-88-0) is a chemical compound with molecular formula C22H21NO6S2 and molecular weight 459.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid
Also Known As: HSD17B13-IN-3, A0380/0017476, 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid, 4-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid, YYC
| Molecular Formula | C22H21NO6S2 |
|---|---|
| Molecular Weight | 459.08 g/mol |
| LogP | 3.94366 |
| Topological Polar Surface Area | 117.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.08102 |
| Heavy Atoms | 31 |
| Complexity | 1358.7485 |
Chemical Identifiers
| CAS Number | 313259-88-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)C)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C |
Product Overview
Hsd17B13-IN-3 (CAS 313259-88-0), with molecular formula C22H21NO6S2 and molecular weight 459.08 g/mol. IUPAC: 4-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of Hsd17B13-IN-3
Property Insights of Hsd17B13-IN-3
The XLogP value of 3.94366 indicates that Hsd17B13-IN-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Hsd17B13-IN-3. Following Lipinski's Rule of Five, Hsd17B13-IN-3 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 Hsd17B13-IN-3?
The CAS number of Hsd17B13-IN-3 is 313259-88-0.
What is the molecular formula of Hsd17B13-IN-3?
The molecular formula of Hsd17B13-IN-3 is C22H21NO6S2.
What is the molecular weight of Hsd17B13-IN-3?
The molecular weight of Hsd17B13-IN-3 is 459.08 g/mol.
Where can I buy Hsd17B13-IN-3?
You can request a quote for Hsd17B13-IN-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hsd17B13-IN-3?
Yes, KEHONG BIO provides custom synthesis services for Hsd17B13-IN-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.