BAS 13030727
TL;DR: BAS 13030727 (CAS 878422-20-9) is a chemical compound with molecular formula C23H29N5O3 and molecular weight 423.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methyl]-6-(3-ethoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030727, UPCMLD0ENAT5861211:001, F3124-1148, 2-[(2,5-dimethylphenyl)methyl]-6-(3-ethoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 3-(2,5-dimethylbenzyl)-8-(3-ethoxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C23H29N5O3 |
|---|---|
| Molecular Weight | 423.23 g/mol |
| LogP | 2.54956 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.22705 |
| Heavy Atoms | 31 |
| Complexity | 1386.716 |
Chemical Identifiers
| CAS Number | 878422-20-9 |
|---|---|
| SMILES | CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=C(C=CC(=C4)C)C)C |
Product Overview
BAS 13030727 (CAS 878422-20-9), with molecular formula C23H29N5O3 and molecular weight 423.23 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methyl]-6-(3-ethoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030727
Property Insights of BAS 13030727
The XLogP value of 2.54956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030727. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030727. Following Lipinski's Rule of Five, BAS 13030727 has 0 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 13030727?
The CAS number of BAS 13030727 is 878422-20-9.
What is the molecular formula of BAS 13030727?
The molecular formula of BAS 13030727 is C23H29N5O3.
What is the molecular weight of BAS 13030727?
The molecular weight of BAS 13030727 is 423.23 g/mol.
Where can I buy BAS 13030727?
You can request a quote for BAS 13030727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030727?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.