BAS 13029606
TL;DR: BAS 13029606 (CAS 878726-69-3) is a chemical compound with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dimethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13029606, VU0509527-1, AB00682950-01, F3124-0041, 6-(2,3-dimethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H23N5O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 1.44626 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.18008 |
| Heavy Atoms | 28 |
| Complexity | 1336.3627 |
Chemical Identifiers
| CAS Number | 878726-69-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C)C |
Product Overview
BAS 13029606 (CAS 878726-69-3), with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol. IUPAC: 6-(2,3-dimethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13029606
Property Insights of BAS 13029606
The XLogP value of 1.44626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029606. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029606. Following Lipinski's Rule of Five, BAS 13029606 has 1 hydrogen bond donor(s) and 4 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 13029606?
The CAS number of BAS 13029606 is 878726-69-3.
What is the molecular formula of BAS 13029606?
The molecular formula of BAS 13029606 is C20H23N5O3.
What is the molecular weight of BAS 13029606?
The molecular weight of BAS 13029606 is 381.18 g/mol.
Where can I buy BAS 13029606?
You can request a quote for BAS 13029606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029606?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.