![2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate structure](/static/products/2599/25998-08-7.webp)
2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate
TL;DR: 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate (CAS 25998-08-7) is a chemical compound with molecular formula C19H20ClN3O8 and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetamido-4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2-chloroacetate
Also Known As: 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate, Acetic acid, chloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide carbamate (ester), [2-acetamido-4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2-chloroacetate, Acetic acid, 2-chloro-,2-(acetylamino)-9-[[(aminocarbonyl)oxy]methyl]-2,3,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo[1,2-a]indol-1-ylester, N-(1-[(Chloroacetyl)oxy]-9-{[hydroxy(imino)methoxy]methyl}-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl)ethanimidic acid
| Molecular Formula | C19H20ClN3O8 |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.0939 |
| Heavy Atoms | 31 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 25998-08-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)OC(=O)CCl)NC(=O)C)OC |
| InChIKey | QQFIGIHRZNOFMZ-UHFFFAOYSA-N |
Product Overview
2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate (CAS 25998-08-7), with molecular formula C19H20ClN3O8 and molecular weight 453.09 g/mol. IUPAC: [2-acetamido-4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2-chloroacetate.
Chemical Property Profile of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate
Property Insights of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate. The TPSA of 156.0 Ų indicates high polarity, suggesting 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate has 2 hydrogen bond donor(s) and 8 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 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate?
The CAS number of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate is 25998-08-7.
What is the molecular formula of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate?
The molecular formula of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate is C19H20ClN3O8.
What is the molecular weight of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate?
The molecular weight of 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate is 453.09 g/mol.
Where can I buy 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate?
You can request a quote for 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(acetylamino)-9-[(carbamoyloxy)methyl]-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-1-yl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.