BAS 08333537
TL;DR: BAS 08333537 (CAS 797775-55-4) is a chemical compound with molecular formula C17H15ClN6O2S2 and molecular weight 434.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: BAS 08333537, UPCMLD0ENAT5731897:001, 7-(4-Chloro-benzyl)-1,3-dimethyl-8-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-3,7-dihydro-purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H15ClN6O2S2 |
|---|---|
| Molecular Weight | 434.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.03864 |
| Heavy Atoms | 28 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 797775-55-4 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C |
| InChIKey | OBBZKTFEZUEWHM-UHFFFAOYSA-N |
Product Overview
BAS 08333537 (CAS 797775-55-4), with molecular formula C17H15ClN6O2S2 and molecular weight 434.04 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of BAS 08333537
Property Insights of BAS 08333537
The XLogP value of 3.4 indicates that BAS 08333537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08333537. Following Lipinski's Rule of Five, BAS 08333537 has 0 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 BAS 08333537?
The CAS number of BAS 08333537 is 797775-55-4.
What is the molecular formula of BAS 08333537?
The molecular formula of BAS 08333537 is C17H15ClN6O2S2.
What is the molecular weight of BAS 08333537?
The molecular weight of BAS 08333537 is 434.04 g/mol.
Where can I buy BAS 08333537?
You can request a quote for BAS 08333537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08333537?
Yes, KEHONG BIO provides custom synthesis services for BAS 08333537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.