![(S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide structure](/static/products/137/1374564-67-6.png)
(S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide
TL;DR: (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide (CAS 1374564-67-6) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(2,4-dimethoxyphenyl)acetamide
Also Known As: (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide, 2-[(11AS)-5,11-DIOXO-2,3,11,11A-TETRAHYDRO-1H-PYRROLO[2,1-C][1,4]BENZODIAZEPIN-10(5H)-YL]-N-(2,4-DIMETHOXYPHENYL)ACETAMIDE, 2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(2,4-dimethoxyphenyl)acetamide
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 2.2937 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1006.0176 |
Chemical Identifiers
| CAS Number | 1374564-67-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCC[C@H]4C2=O)OC |
Product Overview
(S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide (CAS 1374564-67-6), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: 2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(2,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide
Property Insights of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide
The XLogP value of 2.2937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide 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 (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide?
The CAS number of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide is 1374564-67-6.
What is the molecular formula of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide?
The molecular formula of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide is C22H23N3O5.
What is the molecular weight of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide?
The molecular weight of (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide is 409.16 g/mol.
Where can I buy (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide?
You can request a quote for (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(2,4-dimethoxyphenyl)-2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(5H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.