AB00672985-01
TL;DR: AB00672985-01 (CAS 438031-79-9) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: AB00672985-01, 8-[[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione, 8-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 0.7065 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 1176.5061 |
Chemical Identifiers
| CAS Number | 438031-79-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AB00672985-01 (CAS 438031-79-9), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of AB00672985-01
Property Insights of AB00672985-01
The XLogP value of 0.7065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672985-01. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672985-01. Following Lipinski's Rule of Five, AB00672985-01 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 AB00672985-01?
The CAS number of AB00672985-01 is 438031-79-9.
What is the molecular formula of AB00672985-01?
The molecular formula of AB00672985-01 is C17H16N4O5S.
What is the molecular weight of AB00672985-01?
The molecular weight of AB00672985-01 is 388.08 g/mol.
Where can I buy AB00672985-01?
You can request a quote for AB00672985-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672985-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672985-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.