KST-1A6421
TL;DR: KST-1A6421 (CAS 60246-63-1) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,13R,14S,17S,18S)-18-methyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl] acetate
Also Known As: KST-1A6421, J2.962.165I, (1s,3as,3br,10ar,10bs,12as)-12a-methyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1h-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-yl acetate, 3,2-(1-Oxa-2-aza-2-propene-1,3-diyl)estra-2,4-diene-17beta-ol acetate, (1S,2R,13R,14S,17S,18S)-18-methyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl acetate
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 60246-63-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC5=C(C[C@H]34)C=NO5)C |
| InChIKey | TUJPGMVWKFKWNR-QWSDNZPMSA-N |
Product Overview
KST-1A6421 (CAS 60246-63-1), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: [(1S,2R,13R,14S,17S,18S)-18-methyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl] acetate.
Chemical Property Profile of KST-1A6421
Property Insights of KST-1A6421
The XLogP value of 3.9 indicates that KST-1A6421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, KST-1A6421 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A6421 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-1A6421?
The CAS number of KST-1A6421 is 60246-63-1.
What is the molecular formula of KST-1A6421?
The molecular formula of KST-1A6421 is C21H27NO3.
What is the molecular weight of KST-1A6421?
The molecular weight of KST-1A6421 is 341.20 g/mol.
Where can I buy KST-1A6421?
You can request a quote for KST-1A6421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6421?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.