KST-1B3887
TL;DR: KST-1B3887 (CAS 3937-98-2) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone
Also Known As: KST-1B3887, 1-(1,3-dihydro-2h-pyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)ethanone, 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethy, 1-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)ethan-1-one, 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 3937-98-2 |
|---|---|
| SMILES | CC1CC(N=C(O1)CC(=O)N2CC3=CC4=CC=CC=C4N=C3C2)(C)C |
| InChIKey | NJGHXBXRSPRAKY-UHFFFAOYSA-N |
Product Overview
KST-1B3887 (CAS 3937-98-2), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone.
Chemical Property Profile of KST-1B3887
Property Insights of KST-1B3887
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B3887. With a topological polar surface area (TPSA) of 54.8 Ų, KST-1B3887 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B3887 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-1B3887?
The CAS number of KST-1B3887 is 3937-98-2.
What is the molecular formula of KST-1B3887?
The molecular formula of KST-1B3887 is C20H23N3O2.
What is the molecular weight of KST-1B3887?
The molecular weight of KST-1B3887 is 337.18 g/mol.
Where can I buy KST-1B3887?
You can request a quote for KST-1B3887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3887?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.