BAS 13029794
TL;DR: BAS 13029794 (CAS 878729-13-6) is a chemical compound with molecular formula C19H18ClN5O4 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(3-chloro-4-methylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
Also Known As: BAS 13029794, VU0509552-1, F3124-0225, methyl 2-(8-(3-chloro-4-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, methyl 2-[6-(3-chloro-4-methylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
| Molecular Formula | C19H18ClN5O4 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 1.58184 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.10474 |
| Heavy Atoms | 29 |
| Complexity | 1422.8938 |
Chemical Identifiers
| CAS Number | 878729-13-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC)C)Cl |
Product Overview
BAS 13029794 (CAS 878729-13-6), with molecular formula C19H18ClN5O4 and molecular weight 415.10 g/mol. IUPAC: methyl 2-[6-(3-chloro-4-methylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of BAS 13029794
Property Insights of BAS 13029794
The XLogP value of 1.58184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029794. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029794. Following Lipinski's Rule of Five, BAS 13029794 has 0 hydrogen bond donor(s) and 5 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 13029794?
The CAS number of BAS 13029794 is 878729-13-6.
What is the molecular formula of BAS 13029794?
The molecular formula of BAS 13029794 is C19H18ClN5O4.
What is the molecular weight of BAS 13029794?
The molecular weight of BAS 13029794 is 415.10 g/mol.
Where can I buy BAS 13029794?
You can request a quote for BAS 13029794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029794?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.