BAS 02999097
TL;DR: BAS 02999097 (CAS 333752-15-1) is a chemical compound with molecular formula C19H22ClN5O4 and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 02999097, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00138759-02, F0887-0033, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C19H22ClN5O4 |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 1.1168 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13602 |
| Heavy Atoms | 29 |
| Complexity | 1128.4375 |
Chemical Identifiers
| CAS Number | 333752-15-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
BAS 02999097 (CAS 333752-15-1), with molecular formula C19H22ClN5O4 and molecular weight 419.14 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 02999097
Property Insights of BAS 02999097
The XLogP value of 1.1168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02999097. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999097. Following Lipinski's Rule of Five, BAS 02999097 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 02999097?
The CAS number of BAS 02999097 is 333752-15-1.
What is the molecular formula of BAS 02999097?
The molecular formula of BAS 02999097 is C19H22ClN5O4.
What is the molecular weight of BAS 02999097?
The molecular weight of BAS 02999097 is 419.14 g/mol.
Where can I buy BAS 02999097?
You can request a quote for BAS 02999097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999097?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.