Cyclocarbamide A
TL;DR: Cyclocarbamide 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.
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
Cyclocarbamide 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 Cyclocarbamide A
Property Insights of Cyclocarbamide A
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclocarbamide A. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclocarbamide A. Following Lipinski's Rule of Five, Cyclocarbamide 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 Cyclocarbamide A?
The CAS number of Cyclocarbamide A is 102719-89-1.
What is the molecular formula of Cyclocarbamide A?
The molecular formula of Cyclocarbamide A is C14H20N2O4.
What is the molecular weight of Cyclocarbamide A?
The molecular weight of Cyclocarbamide A is 280.14 g/mol.
Where can I buy Cyclocarbamide A?
You can request a quote for Cyclocarbamide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclocarbamide A?
Yes, KEHONG BIO provides custom synthesis services for Cyclocarbamide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.