BAS 12401246
TL;DR: BAS 12401246 (CAS 876892-19-2) is a chemical compound with molecular formula C16H23N5O4 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 12401246, VU0508219-1, 7-(3-(allyloxy)-2-hydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H23N5O4 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | -0.413 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.17502 |
| Heavy Atoms | 25 |
| Complexity | 875.00305 |
Chemical Identifiers
| CAS Number | 876892-19-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COCC=C)O |
Product Overview
BAS 12401246 (CAS 876892-19-2), with molecular formula C16H23N5O4 and molecular weight 349.18 g/mol. IUPAC: 7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 12401246
Property Insights of BAS 12401246
The XLogP value of -0.413 indicates that BAS 12401246 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401246. Following Lipinski's Rule of Five, BAS 12401246 has 2 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 BAS 12401246?
The CAS number of BAS 12401246 is 876892-19-2.
What is the molecular formula of BAS 12401246?
The molecular formula of BAS 12401246 is C16H23N5O4.
What is the molecular weight of BAS 12401246?
The molecular weight of BAS 12401246 is 349.18 g/mol.
Where can I buy BAS 12401246?
You can request a quote for BAS 12401246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401246?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.