KT 89
TL;DR: KT 89 (CAS 129224-33-5) is a chemical compound with molecular formula C22H25NO3S and molecular weight 383.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate
Also Known As: KT 89, (5alpha,6beta)-6-(Acetylthio)-17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxymorphinan-3-ol, S-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,, Morphinan-3-ol, 6-(acetylthio)-17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxy-, (5alpha,6beta)-, S-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate
| Molecular Formula | C22H25NO3S |
|---|---|
| Molecular Weight | 383.16 g/mol |
| LogP | 3.2657 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.15552 |
| Heavy Atoms | 27 |
| Complexity | 863.359 |
Chemical Identifiers
| CAS Number | 129224-33-5 |
|---|---|
| SMILES | CC(=O)S[C@@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6 |
Product Overview
KT 89 (CAS 129224-33-5), with molecular formula C22H25NO3S and molecular weight 383.16 g/mol. IUPAC: S-[(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate.
Chemical Property Profile of KT 89
Property Insights of KT 89
The XLogP value of 3.2657 indicates that KT 89 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, KT 89 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KT 89 has 1 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 KT 89?
The CAS number of KT 89 is 129224-33-5.
What is the molecular formula of KT 89?
The molecular formula of KT 89 is C22H25NO3S.
What is the molecular weight of KT 89?
The molecular weight of KT 89 is 383.16 g/mol.
Where can I buy KT 89?
You can request a quote for KT 89 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KT 89?
Yes, KEHONG BIO provides custom synthesis services for KT 89 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.