![2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide structure](/static/products/866/866872-96-0.png)
2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
TL;DR: 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide (CAS 866872-96-0) is a chemical compound with molecular formula C30H30N4O3S and molecular weight 526.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide, F1607-0379, 2-((3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-mesitylacetamide, 2-(3-benzyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C30H30N4O3S |
|---|---|
| Molecular Weight | 526.20 g/mol |
| LogP | 5.60116 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.20386 |
| Heavy Atoms | 38 |
| Complexity | 1715.3549 |
Chemical Identifiers
| CAS Number | 866872-96-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C)C |
Product Overview
2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide (CAS 866872-96-0), with molecular formula C30H30N4O3S and molecular weight 526.20 g/mol. IUPAC: 2-(3-benzyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Property Insights of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
The XLogP value of 5.60116 indicates that 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide?
The CAS number of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide is 866872-96-0.
What is the molecular formula of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide?
The molecular formula of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide is C30H30N4O3S.
What is the molecular weight of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide?
The molecular weight of 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide is 526.20 g/mol.
Where can I buy 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide?
You can request a quote for 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.