KST-1B2647
TL;DR: KST-1B2647 (CAS 28098-03-5) is a chemical compound with molecular formula C11H16N6O6 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methylpurine-6,8-dione
Also Known As: KST-1B2647, 1,2-diamino-7-methyl-9-pentofuranosyl-7,9-dihydro-1h-purine-6,8-dione, 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methylpurine-6,8-dione, 1-Amino-2-imino-7-methyl-9-pentofuranosyl-2,3,7,9-tetrahydro-1H-purine-6,8-dione
| Molecular Formula | C11H16N6O6 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.11313 |
| Heavy Atoms | 23 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 28098-03-5 |
|---|---|
| SMILES | CN1C2=C(N=C(N(C2=O)N)N)N(C1=O)C3C(C(C(O3)CO)O)O |
| InChIKey | LBADDCIXRKMOKD-UHFFFAOYSA-N |
Product Overview
KST-1B2647 (CAS 28098-03-5), with molecular formula C11H16N6O6 and molecular weight 328.11 g/mol. IUPAC: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methylpurine-6,8-dione.
Chemical Property Profile of KST-1B2647
Property Insights of KST-1B2647
The XLogP value of -3.9 indicates that KST-1B2647 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting KST-1B2647 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B2647 has 5 hydrogen bond donor(s) and 8 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-1B2647?
The CAS number of KST-1B2647 is 28098-03-5.
What is the molecular formula of KST-1B2647?
The molecular formula of KST-1B2647 is C11H16N6O6.
What is the molecular weight of KST-1B2647?
The molecular weight of KST-1B2647 is 328.11 g/mol.
Where can I buy KST-1B2647?
You can request a quote for KST-1B2647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B2647?
Yes, KEHONG BIO provides custom synthesis services for KST-1B2647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.