4-(苄氨基)-4-氧代异巴豆酸
TL;DR: 4-(苄氨基)-4-氧代异巴豆酸 (CAS 15329-69-8) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(苄氨基)-4-氧代异巴豆酸
4-(benzylamino)-4-oxobut-2-enoic acid
Also Known As: N-Benzylmaleamic acid, Benzyl maleamic acid, TimTec1_001913, NCIOpen2_005775, (2E)-4-(benzylamino)-4-oxobut-2-enoic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 15329-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C=CC(=O)O |
| InChIKey | BHWGQIYJCMMSNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(苄氨基)-4-氧代异巴豆酸 (CAS 15329-69-8), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 4-(benzylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(苄氨基)-4-氧代异巴豆酸
Property Insights of 4-(苄氨基)-4-氧代异巴豆酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(苄氨基)-4-氧代异巴豆酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(苄氨基)-4-氧代异巴豆酸. Following Lipinski's Rule of Five, 4-(苄氨基)-4-氧代异巴豆酸 has 2 hydrogen bond donor(s) and 3 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 4-(苄氨基)-4-氧代异巴豆酸?
The CAS number of 4-(苄氨基)-4-氧代异巴豆酸 is 15329-69-8.
What is the molecular formula of 4-(苄氨基)-4-氧代异巴豆酸?
The molecular formula of 4-(苄氨基)-4-氧代异巴豆酸 is C11H11NO3.
What is the molecular weight of 4-(苄氨基)-4-氧代异巴豆酸?
The molecular weight of 4-(苄氨基)-4-氧代异巴豆酸 is 205.07 g/mol.
Where can I buy 4-(苄氨基)-4-氧代异巴豆酸?
You can request a quote for 4-(苄氨基)-4-氧代异巴豆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(苄氨基)-4-氧代异巴豆酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(苄氨基)-4-氧代异巴豆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.