ChemDiv2_003661
TL;DR: ChemDiv2_003661 (CAS 303969-88-2) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: ChemDiv2_003661, BAS 01107481, IDI1_002376, AB00667707-01, AB00667707-03
| Molecular Formula | C17H20N4O4S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 0.22532 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.1205 |
| Heavy Atoms | 26 |
| Complexity | 1035.828 |
Chemical Identifiers
| CAS Number | 303969-88-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(CO)O)N(C(=O)NC3=O)C |
Product Overview
ChemDiv2_003661 (CAS 303969-88-2), with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol. IUPAC: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of ChemDiv2_003661
Property Insights of ChemDiv2_003661
The XLogP value of 0.22532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003661. The TPSA of 113.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003661. Following Lipinski's Rule of Five, ChemDiv2_003661 has 3 hydrogen bond donor(s) and 6 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 ChemDiv2_003661?
The CAS number of ChemDiv2_003661 is 303969-88-2.
What is the molecular formula of ChemDiv2_003661?
The molecular formula of ChemDiv2_003661 is C17H20N4O4S.
What is the molecular weight of ChemDiv2_003661?
The molecular weight of ChemDiv2_003661 is 376.12 g/mol.
Where can I buy ChemDiv2_003661?
You can request a quote for ChemDiv2_003661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003661?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.