BAS 00451726
TL;DR: BAS 00451726 (CAS 332408-88-5) is a chemical compound with molecular formula C12H15ClN4O3S and molecular weight 330.06 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-prop-2-enylpurine-2,6-dione
Also Known As: BAS 00451726, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-allyl-8-((3-chloro-2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione, 8-(3-chloro-2-hydroxypropylthio)-3-methyl-7-prop-2-enyl-1,3,7-trihydropurine-2 ,6-dione
| Molecular Formula | C12H15ClN4O3S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 0.3011 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.05533 |
| Heavy Atoms | 21 |
| Complexity | 779.1261 |
Chemical Identifiers
| CAS Number | 332408-88-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC=C |
Product Overview
BAS 00451726 (CAS 332408-88-5), with molecular formula C12H15ClN4O3S and molecular weight 330.06 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of BAS 00451726
Property Insights of BAS 00451726
The XLogP value of 0.3011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00451726. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00451726. Following Lipinski's Rule of Five, BAS 00451726 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 00451726?
The CAS number of BAS 00451726 is 332408-88-5.
What is the molecular formula of BAS 00451726?
The molecular formula of BAS 00451726 is C12H15ClN4O3S.
What is the molecular weight of BAS 00451726?
The molecular weight of BAS 00451726 is 330.06 g/mol.
Where can I buy BAS 00451726?
You can request a quote for BAS 00451726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00451726?
Yes, KEHONG BIO provides custom synthesis services for BAS 00451726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.