J1.631.005K
TL;DR: J1.631.005K (CAS 312941-74-5) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-7,8,9,10-tetrahydro-6H-purino[8,7-b][1,3]thiazocine-2,4-dione
Also Known As: J1.631.005K, 1-methyl-7,8,9,10-tetrahydro-6H-purino[8,7-b][1,3]thiazocine-2,4-dione, 4-hydroxy-1-methyl-7,8,9,10-tetrahydro-6H-[1,3]thiazocino[2,3-f]purin-2(1H)-one, 1-methyl-7,8,9,10-tetrahydro-1H-[1,3]thiazocino[2,3-f]purine-2,4(3H,6H)-dione, 3-Methyl-7,8-(pentamethylenethio)-7H-purine-2,6(1H,3H)-dione
| Molecular Formula | C11H14N4O2S |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 0.6993 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.08374 |
| Heavy Atoms | 18 |
| Complexity | 712.12714 |
Chemical Identifiers
| CAS Number | 312941-74-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CCCCCSC3=N2 |
Product Overview
J1.631.005K (CAS 312941-74-5), with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol. IUPAC: 1-methyl-7,8,9,10-tetrahydro-6H-purino[8,7-b][1,3]thiazocine-2,4-dione.
Chemical Property Profile of J1.631.005K
Property Insights of J1.631.005K
The XLogP value of 0.6993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.631.005K. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.631.005K. Following Lipinski's Rule of Five, J1.631.005K 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 J1.631.005K?
The CAS number of J1.631.005K is 312941-74-5.
What is the molecular formula of J1.631.005K?
The molecular formula of J1.631.005K is C11H14N4O2S.
What is the molecular weight of J1.631.005K?
The molecular weight of J1.631.005K is 266.08 g/mol.
Where can I buy J1.631.005K?
You can request a quote for J1.631.005K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.631.005K?
Yes, KEHONG BIO provides custom synthesis services for J1.631.005K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.