BAS 02999095
TL;DR: BAS 02999095 (CAS 333752-14-0) is a chemical compound with molecular formula C14H21N5O4 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 02999095, AB00138758-10, F0887-0031, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C14H21N5O4 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.15936 |
| Heavy Atoms | 23 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 333752-14-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(CO)O |
| InChIKey | YRARZMKWAXFKAG-UHFFFAOYSA-N |
Product Overview
BAS 02999095 (CAS 333752-14-0), with molecular formula C14H21N5O4 and molecular weight 323.16 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 02999095
Property Insights of BAS 02999095
The XLogP value of -0.9 indicates that BAS 02999095 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999095. Following Lipinski's Rule of Five, BAS 02999095 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 02999095?
The CAS number of BAS 02999095 is 333752-14-0.
What is the molecular formula of BAS 02999095?
The molecular formula of BAS 02999095 is C14H21N5O4.
What is the molecular weight of BAS 02999095?
The molecular weight of BAS 02999095 is 323.16 g/mol.
Where can I buy BAS 02999095?
You can request a quote for BAS 02999095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999095?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.