BAS 00451722
TL;DR: BAS 00451722 (CAS 332408-86-3) is a chemical compound with molecular formula C14H21ClN4O3S and molecular weight 360.10 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-methylbutyl)purine-2,6-dione
Also Known As: BAS 00451722, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H21ClN4O3S |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 1.1612 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.1023 |
| Heavy Atoms | 23 |
| Complexity | 795.6419 |
Chemical Identifiers
| CAS Number | 332408-86-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C |
Product Overview
BAS 00451722 (CAS 332408-86-3), with molecular formula C14H21ClN4O3S and molecular weight 360.10 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of BAS 00451722
Property Insights of BAS 00451722
The XLogP value of 1.1612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00451722. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00451722. Following Lipinski's Rule of Five, BAS 00451722 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 00451722?
The CAS number of BAS 00451722 is 332408-86-3.
What is the molecular formula of BAS 00451722?
The molecular formula of BAS 00451722 is C14H21ClN4O3S.
What is the molecular weight of BAS 00451722?
The molecular weight of BAS 00451722 is 360.10 g/mol.
Where can I buy BAS 00451722?
You can request a quote for BAS 00451722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00451722?
Yes, KEHONG BIO provides custom synthesis services for BAS 00451722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.