ZK 168281
TL;DR: ZK 168281 (CAS 186371-96-0) is a chemical compound with molecular formula C32H46O5 and molecular weight 510.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropyl]prop-2-enoate
Also Known As: SID:53789832, 1,2-di(1h-imidazol-1-yl)ethane-1,2-dione, J2.209.124G, (5Z,7E,22E)-(1S,3R,24R)-25-(carboethoxy-methylene)-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol, (E)-3-[1-[(5Z,7E,22E,24R)-1alpha,3beta,24-Trihydroxy-9,10-secochola-5,7,10(19),22-tetraene-24-yl]cyclopropyl]propenoic acid ethyl ester
| Molecular Formula | C32H46O5 |
|---|---|
| Molecular Weight | 510.33 g/mol |
| LogP | 5.5801 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.33453 |
| Heavy Atoms | 37 |
| Complexity | 983.1375 |
Chemical Identifiers
| CAS Number | 186371-96-0 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O |
Product Overview
ZK 168281 (CAS 186371-96-0), with molecular formula C32H46O5 and molecular weight 510.33 g/mol. IUPAC: ethyl (E)-3-[1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropyl]prop-2-enoate.
Chemical Property Profile of ZK 168281
Property Insights of ZK 168281
The XLogP value of 5.5801 indicates that ZK 168281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ZK 168281. Following Lipinski's Rule of Five, ZK 168281 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ZK 168281?
The CAS number of ZK 168281 is 186371-96-0.
What is the molecular formula of ZK 168281?
The molecular formula of ZK 168281 is C32H46O5.
What is the molecular weight of ZK 168281?
The molecular weight of ZK 168281 is 510.33 g/mol.
Where can I buy ZK 168281?
You can request a quote for ZK 168281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZK 168281?
Yes, KEHONG BIO provides custom synthesis services for ZK 168281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.