AB00675537-01
TL;DR: AB00675537-01 (CAS 713086-53-4) is a chemical compound with molecular formula C21H17N5O2S2 and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: AB00675537-01, 8-(benzo[d]thiazol-2-ylthio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H17N5O2S2 |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 3.54092 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.08237 |
| Heavy Atoms | 30 |
| Complexity | 1476.0236 |
Chemical Identifiers
| CAS Number | 713086-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NC5=CC=CC=C5S4)N(C(=O)NC3=O)C |
Product Overview
AB00675537-01 (CAS 713086-53-4), with molecular formula C21H17N5O2S2 and molecular weight 435.08 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of AB00675537-01
Property Insights of AB00675537-01
The XLogP value of 3.54092 indicates that AB00675537-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675537-01. Following Lipinski's Rule of Five, AB00675537-01 has 1 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 AB00675537-01?
The CAS number of AB00675537-01 is 713086-53-4.
What is the molecular formula of AB00675537-01?
The molecular formula of AB00675537-01 is C21H17N5O2S2.
What is the molecular weight of AB00675537-01?
The molecular weight of AB00675537-01 is 435.08 g/mol.
Where can I buy AB00675537-01?
You can request a quote for AB00675537-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675537-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675537-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.