Cyclocarbamide B
TL;DR: Cyclocarbamide B (CAS 102719-90-4) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl)hexanamide
Also Known As: CYCLOCARBAMIDE B, (-)-Cyclocarbamide B, N-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl)hexanamide, (-)-N-(5a,6,7,8-Tetrahydro-4-methyl-1,5-dioxo-5H-pyrrolo[1,2-c][1,3]oxazepin-3-yl)hexanamide, n-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydro-5h-pyrrolo[1,2-c][1,3]oxazepin-3-yl)hexanamide
| Molecular Formula | C15H22N2O4 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.15796 |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 102719-90-4 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C(C(=O)C2CCCN2C(=O)O1)C |
| InChIKey | HYEVDZKGOGYNFE-UHFFFAOYSA-N |
Product Overview
Cyclocarbamide B (CAS 102719-90-4), with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol. IUPAC: N-(4-methyl-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl)hexanamide.
Chemical Property Profile of Cyclocarbamide B
Property Insights of Cyclocarbamide B
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclocarbamide B. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclocarbamide B. Following Lipinski's Rule of Five, Cyclocarbamide B 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 B?
The CAS number of Cyclocarbamide B is 102719-90-4.
What is the molecular formula of Cyclocarbamide B?
The molecular formula of Cyclocarbamide B is C15H22N2O4.
What is the molecular weight of Cyclocarbamide B?
The molecular weight of Cyclocarbamide B is 294.16 g/mol.
Where can I buy Cyclocarbamide B?
You can request a quote for Cyclocarbamide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclocarbamide B?
Yes, KEHONG BIO provides custom synthesis services for Cyclocarbamide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.