AB00435541-04
TL;DR: AB00435541-04 (CAS 676154-76-0) is a chemical compound with molecular formula C17H16N6O2S2 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(4-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: AB00435541-04, AB00435541-10, F1614-0142, 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-[(4-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
| Molecular Formula | C17H16N6O2S2 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 2.09114 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0776 |
| Heavy Atoms | 27 |
| Complexity | 1249.3938 |
Chemical Identifiers
| CAS Number | 676154-76-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NN=C(S4)C)N(C(=O)NC3=O)C |
Product Overview
AB00435541-04 (CAS 676154-76-0), with molecular formula C17H16N6O2S2 and molecular weight 400.08 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of AB00435541-04
Property Insights of AB00435541-04
The XLogP value of 2.09114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00435541-04. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00435541-04. Following Lipinski's Rule of Five, AB00435541-04 has 1 hydrogen bond donor(s) and 7 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 AB00435541-04?
The CAS number of AB00435541-04 is 676154-76-0.
What is the molecular formula of AB00435541-04?
The molecular formula of AB00435541-04 is C17H16N6O2S2.
What is the molecular weight of AB00435541-04?
The molecular weight of AB00435541-04 is 400.08 g/mol.
Where can I buy AB00435541-04?
You can request a quote for AB00435541-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00435541-04?
Yes, KEHONG BIO provides custom synthesis services for AB00435541-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.