BAS 02999212
TL;DR: BAS 02999212 (CAS 333755-56-9) is a chemical compound with molecular formula C21H29N5O5 and molecular weight 431.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 02999212, 8-(butylamino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F0887-0148, 8-(butylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(butylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H29N5O5 |
|---|---|
| Molecular Weight | 431.22 g/mol |
| LogP | 1.0942 |
| Topological Polar Surface Area | 112.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.21686 |
| Heavy Atoms | 31 |
| Complexity | 1146.1525 |
Chemical Identifiers
| CAS Number | 333755-56-9 |
|---|---|
| SMILES | CCCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 02999212 (CAS 333755-56-9), with molecular formula C21H29N5O5 and molecular weight 431.22 g/mol. IUPAC: 8-(butylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 02999212
Property Insights of BAS 02999212
The XLogP value of 1.0942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02999212. The TPSA of 112.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999212. Following Lipinski's Rule of Five, BAS 02999212 has 2 hydrogen bond donor(s) and 7 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 02999212?
The CAS number of BAS 02999212 is 333755-56-9.
What is the molecular formula of BAS 02999212?
The molecular formula of BAS 02999212 is C21H29N5O5.
What is the molecular weight of BAS 02999212?
The molecular weight of BAS 02999212 is 431.22 g/mol.
Where can I buy BAS 02999212?
You can request a quote for BAS 02999212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999212?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.