BAS 12401221
TL;DR: BAS 12401221 (CAS 876891-86-0) is a chemical compound with molecular formula C19H29N5O4 and molecular weight 391.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 12401221, VU0508206-1, F3064-0042, 8-(cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione, 7-(3-(allyloxy)-2-hydroxypropyl)-8-(cyclohexylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H29N5O4 |
|---|---|
| Molecular Weight | 391.22 g/mol |
| LogP | 0.7418 |
| Topological Polar Surface Area | 103.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.22195 |
| Heavy Atoms | 28 |
| Complexity | 951.8554 |
Chemical Identifiers
| CAS Number | 876891-86-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC(COCC=C)O |
Product Overview
BAS 12401221 (CAS 876891-86-0), with molecular formula C19H29N5O4 and molecular weight 391.22 g/mol. IUPAC: 8-(cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 12401221
Property Insights of BAS 12401221
The XLogP value of 0.7418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401221. The TPSA of 103.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401221. Following Lipinski's Rule of Five, BAS 12401221 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 12401221?
The CAS number of BAS 12401221 is 876891-86-0.
What is the molecular formula of BAS 12401221?
The molecular formula of BAS 12401221 is C19H29N5O4.
What is the molecular weight of BAS 12401221?
The molecular weight of BAS 12401221 is 391.22 g/mol.
Where can I buy BAS 12401221?
You can request a quote for BAS 12401221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401221?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.