TS-022 anhydrous
TL;DR: TS-022 anhydrous (CAS 170730-17-3) is a chemical compound with molecular formula C20H31ClO4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(1R,2S,3R,5R)-5-chloro-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid
Also Known As: TS-022 anhydrous, Acetic acid, ((4-((1R,2S,3R,5R)-5-chloro-2-((3S)-3-cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxycyclopentyl)butyl)thio), 2-((4-((1R,2S,3R,5R)-5-Chloro-2-((S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl)-3-hydroxycyclopentyl)butyl)thio)acetic acid
| Molecular Formula | C20H31ClO4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 3.5235 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.16315 |
| Heavy Atoms | 26 |
| Complexity | 497.775 |
Chemical Identifiers
| CAS Number | 170730-17-3 |
|---|---|
| SMILES | C1CCC(CC1)[C@@H](C#C[C@H]2[C@@H](C[C@H]([C@@H]2CCCCSCC(=O)O)Cl)O)O |
Product Overview
TS-022 anhydrous (CAS 170730-17-3), with molecular formula C20H31ClO4S and molecular weight 402.16 g/mol. IUPAC: 2-[4-[(1R,2S,3R,5R)-5-chloro-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid.
Chemical Property Profile of TS-022 anhydrous
Property Insights of TS-022 anhydrous
The XLogP value of 3.5235 indicates that TS-022 anhydrous is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for TS-022 anhydrous. Following Lipinski's Rule of Five, TS-022 anhydrous has 3 hydrogen bond donor(s) and 4 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 TS-022 anhydrous?
The CAS number of TS-022 anhydrous is 170730-17-3.
What is the molecular formula of TS-022 anhydrous?
The molecular formula of TS-022 anhydrous is C20H31ClO4S.
What is the molecular weight of TS-022 anhydrous?
The molecular weight of TS-022 anhydrous is 402.16 g/mol.
Where can I buy TS-022 anhydrous?
You can request a quote for TS-022 anhydrous directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TS-022 anhydrous?
Yes, KEHONG BIO provides custom synthesis services for TS-022 anhydrous and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.