A2991/0126034
TL;DR: A2991/0126034 (CAS 1009005-07-5) is a chemical compound with molecular formula C14H14N4O5 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(4-nitrophenyl)acetamide
Also Known As: A2991/0126034, 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(4-nitrophenyl)acetamide, 2-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-(4-nitrophenyl)acetamide, 2-{13-DIOXO-HEXAHYDRO-1H-PYRROLO[12-C]IMIDAZOL-2-YL}-N-(4-NITROPHENYL)ACETAMIDE
| Molecular Formula | C14H14N4O5 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 0.9599 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0964 |
| Heavy Atoms | 23 |
| Complexity | 664.91296 |
Chemical Identifiers
| CAS Number | 1009005-07-5 |
|---|---|
| SMILES | C1CC2C(=O)N(C(=O)N2C1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
A2991/0126034 (CAS 1009005-07-5), with molecular formula C14H14N4O5 and molecular weight 318.10 g/mol. IUPAC: 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of A2991/0126034
Property Insights of A2991/0126034
The XLogP value of 0.9599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2991/0126034. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A2991/0126034. Following Lipinski's Rule of Five, A2991/0126034 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 A2991/0126034?
The CAS number of A2991/0126034 is 1009005-07-5.
What is the molecular formula of A2991/0126034?
The molecular formula of A2991/0126034 is C14H14N4O5.
What is the molecular weight of A2991/0126034?
The molecular weight of A2991/0126034 is 318.10 g/mol.
Where can I buy A2991/0126034?
You can request a quote for A2991/0126034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2991/0126034?
Yes, KEHONG BIO provides custom synthesis services for A2991/0126034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.