BAS 13030266
TL;DR: BAS 13030266 (CAS 878734-59-9) is a chemical compound with molecular formula C20H22ClN5O2 and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methyl]-4,7,8-trimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030266, F3124-0695, 2-[(2-chlorophenyl)methyl]-4,7,8-trimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione, 3-[(2-chlorophenyl)methyl]-1,6,7-trimethyl-8-(propan-2-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 3-(2-chlorobenzyl)-8-isopropyl-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C20H22ClN5O2 |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 3.04884 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1462 |
| Heavy Atoms | 28 |
| Complexity | 1353.4177 |
Chemical Identifiers
| CAS Number | 878734-59-9 |
|---|---|
| SMILES | CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)C(C)C)C |
Product Overview
BAS 13030266 (CAS 878734-59-9), with molecular formula C20H22ClN5O2 and molecular weight 399.15 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]-4,7,8-trimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030266
Property Insights of BAS 13030266
The XLogP value of 3.04884 indicates that BAS 13030266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030266. Following Lipinski's Rule of Five, BAS 13030266 has 0 hydrogen bond donor(s) and 3 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 13030266?
The CAS number of BAS 13030266 is 878734-59-9.
What is the molecular formula of BAS 13030266?
The molecular formula of BAS 13030266 is C20H22ClN5O2.
What is the molecular weight of BAS 13030266?
The molecular weight of BAS 13030266 is 399.15 g/mol.
Where can I buy BAS 13030266?
You can request a quote for BAS 13030266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030266?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.