BAS 06503120
TL;DR: BAS 06503120 (CAS 799258-01-8) is a chemical compound with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 06503120, VU0489329-1, 8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-Azepan-1-yl-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H29N5O4 |
|---|---|
| Molecular Weight | 427.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.22195 |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 799258-01-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(COC4=CC=CC=C4)O |
| InChIKey | YNARQTRGBVMTCM-UHFFFAOYSA-N |
Product Overview
BAS 06503120 (CAS 799258-01-8), with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol. IUPAC: 8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 06503120
Property Insights of BAS 06503120
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06503120. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06503120. Following Lipinski's Rule of Five, BAS 06503120 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 06503120?
The CAS number of BAS 06503120 is 799258-01-8.
What is the molecular formula of BAS 06503120?
The molecular formula of BAS 06503120 is C22H29N5O4.
What is the molecular weight of BAS 06503120?
The molecular weight of BAS 06503120 is 427.22 g/mol.
Where can I buy BAS 06503120?
You can request a quote for BAS 06503120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06503120?
Yes, KEHONG BIO provides custom synthesis services for BAS 06503120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.