![(2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide structure](/static/products/956/956243-73-5.png)
(2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide
TL;DR: (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide (CAS 956243-73-5) is a chemical compound with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-cyclopropyl-2-[(2S)-12-methoxy-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-4-yl]propanamide
Also Known As: (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide, (S)-N-cyclopropyl-2-((S)-8-methoxy-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)propanamide
| Molecular Formula | C21H24N4O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 1.8791 |
| Topological Polar Surface Area | 94.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.17975 |
| Heavy Atoms | 29 |
| Complexity | 1056.3735 |
Chemical Identifiers
| CAS Number | 956243-73-5 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1CC1)N2C(=O)[C@@]3(C4=C(CCN3C2=O)C5=C(N4)C=CC(=C5)OC)C |
Product Overview
(2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide (CAS 956243-73-5), with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol. IUPAC: (2S)-N-cyclopropyl-2-[(2S)-12-methoxy-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-4-yl]propanamide.
Chemical Property Profile of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide
Property Insights of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide
The XLogP value of 1.8791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide. The TPSA of 94.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide. Following Lipinski's Rule of Five, (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide has 2 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 (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide?
The CAS number of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide is 956243-73-5.
What is the molecular formula of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide?
The molecular formula of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide is C21H24N4O4.
What is the molecular weight of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide?
The molecular weight of (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide is 396.18 g/mol.
Where can I buy (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide?
You can request a quote for (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-N-cyclopropyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.