![methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate structure](/static/products/5376/537668-44-3.webp)
methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
TL;DR: methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate (CAS 537668-44-3) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate
Also Known As: ChemDiv3_007843, IDI1_025753, methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate, BRD-A54591449-001-01-7, methyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.0684 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 928.8135 |
Chemical Identifiers
| CAS Number | 537668-44-3 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32 |
Product Overview
methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate (CAS 537668-44-3), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: methyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate.
Chemical Property Profile of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
Property Insights of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
The XLogP value of 2.0684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate. Following Lipinski's Rule of Five, methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate 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 methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate?
The CAS number of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate is 537668-44-3.
What is the molecular formula of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate?
The molecular formula of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate is C15H15N3O3S.
What is the molecular weight of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate?
The molecular weight of methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate is 317.08 g/mol.
Where can I buy methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate?
You can request a quote for methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.