BAS 13029923
TL;DR: BAS 13029923 (CAS 878731-30-7) is a chemical compound with molecular formula C19H19ClFN5O2 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13029923, F3124-0352, 2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione, 3-(2-chloro-6-fluorobenzyl)-8-isopropyl-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 3-[(2-chloro-6-fluorophenyl)methyl]-1,7-dimethyl-8-(propan-2-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C19H19ClFN5O2 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 2.87952 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.12112 |
| Heavy Atoms | 28 |
| Complexity | 1338.8956 |
Chemical Identifiers
| CAS Number | 878731-30-7 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C(C)C)N(C(=O)N(C3=O)CC4=C(C=CC=C4Cl)F)C |
Product Overview
BAS 13029923 (CAS 878731-30-7), with molecular formula C19H19ClFN5O2 and molecular weight 403.12 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13029923
Property Insights of BAS 13029923
The XLogP value of 2.87952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029923. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029923. Following Lipinski's Rule of Five, BAS 13029923 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 13029923?
The CAS number of BAS 13029923 is 878731-30-7.
What is the molecular formula of BAS 13029923?
The molecular formula of BAS 13029923 is C19H19ClFN5O2.
What is the molecular weight of BAS 13029923?
The molecular weight of BAS 13029923 is 403.12 g/mol.
Where can I buy BAS 13029923?
You can request a quote for BAS 13029923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029923?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.