![methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate structure](/static/products/899/899401-74-2.png)
methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate
TL;DR: methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate (CAS 899401-74-2) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-methyl-4-oxopyrimido[5,4-b]indol-3-yl)acetate
Also Known As: methyl 2-(5-methyl-4-oxopyrimido[5,4-b]indol-3-yl)acetate, methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate, methyl 2-(5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate
| Molecular Formula | C14H13N3O3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 1.0612 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0957 |
| Heavy Atoms | 20 |
| Complexity | 876.3733 |
Chemical Identifiers
| CAS Number | 899401-74-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CC(=O)OC |
Product Overview
methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate (CAS 899401-74-2), with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol. IUPAC: methyl 2-(5-methyl-4-oxopyrimido[5,4-b]indol-3-yl)acetate.
Chemical Property Profile of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate
Property Insights of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate
The XLogP value of 1.0612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate. Following Lipinski's Rule of Five, methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate 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 methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate?
The CAS number of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate is 899401-74-2.
What is the molecular formula of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate?
The molecular formula of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate is C14H13N3O3.
What is the molecular weight of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate?
The molecular weight of methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate is 271.10 g/mol.
Where can I buy methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate?
You can request a quote for methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.