KST-1A3920
TL;DR: KST-1A3920 (CAS 3362-33-2) is a chemical compound with molecular formula C27H39IO9 and molecular weight 634.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Also Known As: KST-1A3920, 3-beta,5-beta,14-beta,19,21-Pentahydroxypregnan-20-one 3,19-diacetate 21-iodoacetate, 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 3,19-diacetate, 21-iodoacetate, (3, A,5
| Molecular Formula | C27H39IO9 |
|---|---|
| Molecular Weight | 634.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 634.1639 |
| Heavy Atoms | 37 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 3362-33-2 |
|---|---|
| SMILES | CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CI)O)C)O)OC(=O)C |
| InChIKey | IIKJWHUZSBAFRB-YKJLZJSLSA-N |
Product Overview
KST-1A3920 (CAS 3362-33-2), with molecular formula C27H39IO9 and molecular weight 634.16 g/mol. IUPAC: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate.
Chemical Property Profile of KST-1A3920
Property Insights of KST-1A3920
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A3920. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A3920. Following Lipinski's Rule of Five, KST-1A3920 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3920?
The CAS number of KST-1A3920 is 3362-33-2.
What is the molecular formula of KST-1A3920?
The molecular formula of KST-1A3920 is C27H39IO9.
What is the molecular weight of KST-1A3920?
The molecular weight of KST-1A3920 is 634.16 g/mol.
Where can I buy KST-1A3920?
You can request a quote for KST-1A3920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3920?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.