KST-1A4498
TL;DR: KST-1A4498 (CAS 39080-52-9) is a chemical compound with molecular formula C16H14Cl6O4 and molecular weight 479.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,5S,6S,7S,8R)-5-acetyloxy-1,8,9,10,12,12-hexachloro-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
Also Known As: KST-1A4498, trans-4,5-Diacetoxy-4,5-Dihydroaldrin, trans-4.5-diacetoxy-4.5-dihydroaldrin, (1r,2s,3s,4s,4as,5r,8s,8ar)-5,6,7,8,10,10-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diyl diacetate, [(1R,2S,3S,4S,5S,6R,7R,8S)-5-acetyloxy-1,8,9,10,12,12-hexachloro-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
| Molecular Formula | C16H14Cl6O4 |
|---|---|
| Molecular Weight | 479.90 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.9023 |
| Heavy Atoms | 26 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 39080-52-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]([C@@H]([C@@H]1OC(=O)C)C2(Cl)Cl)[C@@]4(C[C@]3(C(=C4Cl)Cl)Cl)Cl |
| InChIKey | PHHXZMKSEUKFNC-NHVZMYRWSA-N |
Product Overview
KST-1A4498 (CAS 39080-52-9), with molecular formula C16H14Cl6O4 and molecular weight 479.90 g/mol. IUPAC: [(1S,2R,3R,4S,5S,6S,7S,8R)-5-acetyloxy-1,8,9,10,12,12-hexachloro-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate.
Chemical Property Profile of KST-1A4498
Property Insights of KST-1A4498
The XLogP value of 3.8 indicates that KST-1A4498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, KST-1A4498 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A4498 has 0 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 KST-1A4498?
The CAS number of KST-1A4498 is 39080-52-9.
What is the molecular formula of KST-1A4498?
The molecular formula of KST-1A4498 is C16H14Cl6O4.
What is the molecular weight of KST-1A4498?
The molecular weight of KST-1A4498 is 479.90 g/mol.
Where can I buy KST-1A4498?
You can request a quote for KST-1A4498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4498?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.