环脲A
TL;DR: 环脲A (CAS 102719-89-1) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环脲A
3-methyl-N-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl)butanamide
Also Known As: Cyclocarbamide A, (-)-Cyclocarbamide A, 3-methyl-N-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl)butanamide, (-)-3-Methyl-N-[5a,6,7,8-tetrahydro-4-methyl-1,5-dioxo-5H-pyrrolo[1,2-c][1,3]oxazepin-3-yl]butanamid, 3-methyl-n-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydro-5h-pyrrolo[1,2-c][1,3]oxazepin-3-yl)butanamide
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 102719-89-1 |
|---|---|
| SMILES | CC1=C(OC(=O)N2CCCC2C1=O)NC(=O)CC(C)C |
| InChIKey | OOVIDZVWKLFZSZ-UHFFFAOYSA-N |
Product Overview
环脲A (CAS 102719-89-1), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: 3-methyl-N-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl)butanamide.
Chemical Property Profile of 环脲A
Property Insights of 环脲A
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环脲A. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 环脲A. Following Lipinski's Rule of Five, 环脲A has 1 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 环脲A?
The CAS number of 环脲A is 102719-89-1.
What is the molecular formula of 环脲A?
The molecular formula of 环脲A is C14H20N2O4.
What is the molecular weight of 环脲A?
The molecular weight of 环脲A is 280.14 g/mol.
Where can I buy 环脲A?
You can request a quote for 环脲A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环脲A?
Yes, KEHONG BIO provides custom synthesis services for 环脲A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.