![Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate structure](/static/products/956/956967-54-7.png)
Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
TL;DR: Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate (CAS 956967-54-7) is a chemical compound with molecular formula C30H29N3O7 and molecular weight 543.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2,5-dimethoxyphenyl)-2-[(2-methoxycarbonylphenyl)carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Also Known As: Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-(2,5-dimethoxyphenyl)-2-[(2-methoxycarbonylphenyl)carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate, methyl 1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
| Molecular Formula | C30H29N3O7 |
|---|---|
| Molecular Weight | 543.20 g/mol |
| LogP | 4.6929 |
| Topological Polar Surface Area | 119.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.20056 |
| Heavy Atoms | 40 |
| Complexity | 1595.4778 |
Chemical Identifiers
| CAS Number | 956967-54-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3=C(CC(N2C(=O)NC4=CC=CC=C4C(=O)OC)C(=O)OC)C5=CC=CC=C5N3 |
Product Overview
Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate (CAS 956967-54-7), with molecular formula C30H29N3O7 and molecular weight 543.20 g/mol. IUPAC: methyl 1-(2,5-dimethoxyphenyl)-2-[(2-methoxycarbonylphenyl)carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
Property Insights of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
The XLogP value of 4.6929 indicates that Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate. Following Lipinski's Rule of Five, Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
The CAS number of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is 956967-54-7.
What is the molecular formula of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
The molecular formula of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is C30H29N3O7.
What is the molecular weight of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
The molecular weight of Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is 543.20 g/mol.
Where can I buy Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
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Does KEHONG BIO offer custom synthesis for Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3S)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.