KST-1A2253
TL;DR: KST-1A2253 (CAS 18653-83-3) is a chemical compound with molecular formula C21H20N4O and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-7-benzyl-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone
Also Known As: KST-1A2253, (4-amino-7-benzyl-2-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)(phenyl)methanone, (4-amino-7-benzyl-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidi, 6-benzoyl-7-benzyl-2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-amine, (4-amino-7-benzyl-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone
| Molecular Formula | C21H20N4O |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.1637 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 18653-83-3 |
|---|---|
| SMILES | CC1=NC2=C(CN(C2CC3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=N1)N |
| InChIKey | YMAJLLJZJOPHJL-UHFFFAOYSA-N |
Product Overview
KST-1A2253 (CAS 18653-83-3), with molecular formula C21H20N4O and molecular weight 344.16 g/mol. IUPAC: (4-amino-7-benzyl-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone.
Chemical Property Profile of KST-1A2253
Property Insights of KST-1A2253
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A2253. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A2253. Following Lipinski's Rule of Five, KST-1A2253 has 1 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-1A2253?
The CAS number of KST-1A2253 is 18653-83-3.
What is the molecular formula of KST-1A2253?
The molecular formula of KST-1A2253 is C21H20N4O.
What is the molecular weight of KST-1A2253?
The molecular weight of KST-1A2253 is 344.16 g/mol.
Where can I buy KST-1A2253?
You can request a quote for KST-1A2253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A2253?
Yes, KEHONG BIO provides custom synthesis services for KST-1A2253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.