12K-029
TL;DR: 12K-029 (CAS 306979-62-4) is a chemical compound with molecular formula C25H17ClF3NO7S2 and molecular weight 599.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methoxybenzenesulfonate
Also Known As: 12K-029, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-(phenylsulfonyl)phenyl 4-methoxybenzenesulfonate, [2-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-methoxybenzenesulfonate, 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl 4-methoxybenzene-1-sulfonate, 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl4-methoxybenzene-1-sulfonate
| Molecular Formula | C25H17ClF3NO7S2 |
|---|---|
| Molecular Weight | 599.01 g/mol |
| LogP | 6.1552 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 599.0087 |
| Heavy Atoms | 39 |
| Complexity | 1713.2802 |
Chemical Identifiers
| CAS Number | 306979-62-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
12K-029 (CAS 306979-62-4), with molecular formula C25H17ClF3NO7S2 and molecular weight 599.01 g/mol. IUPAC: [2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-methoxybenzenesulfonate.
Chemical Property Profile of 12K-029
Property Insights of 12K-029
The XLogP value of 6.1552 indicates that 12K-029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 12K-029. Following Lipinski's Rule of Five, 12K-029 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12K-029?
The CAS number of 12K-029 is 306979-62-4.
What is the molecular formula of 12K-029?
The molecular formula of 12K-029 is C25H17ClF3NO7S2.
What is the molecular weight of 12K-029?
The molecular weight of 12K-029 is 599.01 g/mol.
Where can I buy 12K-029?
You can request a quote for 12K-029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12K-029?
Yes, KEHONG BIO provides custom synthesis services for 12K-029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.