BAS 02999093
TL;DR: BAS 02999093 (CAS 333752-12-8) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 02999093, VU0488809-1, 7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0887-0029, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 0.78222 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1186.5505 |
Chemical Identifiers
| CAS Number | 333752-12-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C)O |
Product Overview
BAS 02999093 (CAS 333752-12-8), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 02999093
Property Insights of BAS 02999093
The XLogP value of 0.78222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02999093. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999093. Following Lipinski's Rule of Five, BAS 02999093 has 1 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 02999093?
The CAS number of BAS 02999093 is 333752-12-8.
What is the molecular formula of BAS 02999093?
The molecular formula of BAS 02999093 is C21H27N5O4.
What is the molecular weight of BAS 02999093?
The molecular weight of BAS 02999093 is 413.21 g/mol.
Where can I buy BAS 02999093?
You can request a quote for BAS 02999093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999093?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.