BAS 13030796
TL;DR: BAS 13030796 (CAS 878736-33-5) is a chemical compound with molecular formula C19H20ClN5O4 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid
Also Known As: BAS 13030796, F3124-1217, 2-(9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetic acid, 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid, 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid
| Molecular Formula | C19H20ClN5O4 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 1.73092 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.1204 |
| Heavy Atoms | 29 |
| Complexity | 1272.3108 |
Chemical Identifiers
| CAS Number | 878736-33-5 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)O)C4=C(C(=CC=C4)Cl)C |
Product Overview
BAS 13030796 (CAS 878736-33-5), with molecular formula C19H20ClN5O4 and molecular weight 417.12 g/mol. IUPAC: 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of BAS 13030796
Property Insights of BAS 13030796
The XLogP value of 1.73092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030796. The TPSA of 102.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030796. Following Lipinski's Rule of Five, BAS 13030796 has 1 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 13030796?
The CAS number of BAS 13030796 is 878736-33-5.
What is the molecular formula of BAS 13030796?
The molecular formula of BAS 13030796 is C19H20ClN5O4.
What is the molecular weight of BAS 13030796?
The molecular weight of BAS 13030796 is 417.12 g/mol.
Where can I buy BAS 13030796?
You can request a quote for BAS 13030796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030796?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.