4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸
TL;DR: 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 (CAS 208663-08-5) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸
4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid, N-(5-CHLORO-2-METHYLPHENYL)MALEAMIC ACID, 2-Butenoic acid, 4-[(5-chloro-2-methylphenyl)amino]-4-oxo-, 2-Butenoic acid,4-[(5-chloro-2-methylphenyl)amino]-4-oxo-, (Z)-4-((5-Chloro-2-methylphenyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C11H10ClNO3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.03493 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 208663-08-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)C=CC(=O)O |
| InChIKey | KFLFGXYJSLVOCF-UHFFFAOYSA-N |
Product Overview
4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 (CAS 208663-08-5), with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol. IUPAC: 4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸
Property Insights of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸. Following Lipinski's Rule of Five, 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 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-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸?
The CAS number of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 is 208663-08-5.
What is the molecular formula of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸?
The molecular formula of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 is C11H10ClNO3.
What is the molecular weight of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸?
The molecular weight of 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 is 239.03 g/mol.
Where can I buy 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸?
You can request a quote for 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-氯-2-甲基苯胺基)-4-氧代丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.