BAS 00553125
TL;DR: BAS 00553125 (CAS 370070-75-0) is a chemical compound with molecular formula C18H21ClN4O3S and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 00553125, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H21ClN4O3S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 1.7479 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.1023 |
| Heavy Atoms | 27 |
| Complexity | 1028.7482 |
Chemical Identifiers
| CAS Number | 370070-75-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CCCC3=CC=CC=C3 |
Product Overview
BAS 00553125 (CAS 370070-75-0), with molecular formula C18H21ClN4O3S and molecular weight 408.10 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 00553125
Property Insights of BAS 00553125
The XLogP value of 1.7479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00553125. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553125. Following Lipinski's Rule of Five, BAS 00553125 has 2 hydrogen bond donor(s) and 5 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 00553125?
The CAS number of BAS 00553125 is 370070-75-0.
What is the molecular formula of BAS 00553125?
The molecular formula of BAS 00553125 is C18H21ClN4O3S.
What is the molecular weight of BAS 00553125?
The molecular weight of BAS 00553125 is 408.10 g/mol.
Where can I buy BAS 00553125?
You can request a quote for BAS 00553125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553125?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.