BAS 00552992
TL;DR: BAS 00552992 (CAS 330182-25-7) is a chemical compound with molecular formula C19H21ClN4O2S and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Also Known As: BAS 00552992, 7-(3-chloro-2-butenyl)-3-methyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione, (Z)-7-(3-chlorobut-2-en-1-yl)-3-methyl-8-((3-phenylpropyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-((2Z)-3-chlorobut-2-enyl)-3-methyl-8-(3-phenylpropylthio)-1,3,7-trihydropuri ne-2,6-dione
| Molecular Formula | C19H21ClN4O2S |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.2908 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.10736 |
| Heavy Atoms | 27 |
| Complexity | 1078.7681 |
Chemical Identifiers
| CAS Number | 330182-25-7 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C)/Cl |
Product Overview
BAS 00552992 (CAS 330182-25-7), with molecular formula C19H21ClN4O2S and molecular weight 404.11 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 00552992
Property Insights of BAS 00552992
The XLogP value of 3.2908 indicates that BAS 00552992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552992. Following Lipinski's Rule of Five, BAS 00552992 has 1 hydrogen bond donor(s) and 4 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 00552992?
The CAS number of BAS 00552992 is 330182-25-7.
What is the molecular formula of BAS 00552992?
The molecular formula of BAS 00552992 is C19H21ClN4O2S.
What is the molecular weight of BAS 00552992?
The molecular weight of BAS 00552992 is 404.11 g/mol.
Where can I buy BAS 00552992?
You can request a quote for BAS 00552992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552992?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.