Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate
TL;DR: Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 2155-62-6) is a chemical compound with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate
Also Known As: 1,3-Dichloro-5-vinylbenzene, butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate, Maleamic acid,N-carbamoyl-, sec-butyl ester (7CI,8CI)
| Molecular Formula | C9H14N2O4 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.09535 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 2155-62-6 |
|---|---|
| SMILES | CCC(C)OC(=O)C=CC(=O)NC(=O)N |
| InChIKey | JQQFKRYSNCCDFI-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 2155-62-6), with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol. IUPAC: butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate.
Chemical Property Profile of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate
Property Insights of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate has 2 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 Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate?
The CAS number of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate is 2155-62-6.
What is the molecular formula of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular formula of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate is C9H14N2O4.
What is the molecular weight of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular weight of Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate is 214.10 g/mol.
Where can I buy Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate?
You can request a quote for Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 4-(carbamoylamino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.