butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt
TL;DR: butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt (CAS 112997-60-1) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 4-anilino-4-oxobutanoate
Also Known As: Succinanilic acid monoammonium salt, azanium 4-anilino-4-oxobutanoate, Ammonium 4-anilino-4-oxobutanoate, 4-Oxo-4-(phenylamino)butanoic acid monoammonium salt, ammonium 4-oxo-4-(phenylamino)butanoate
| Molecular Formula | C10H14N2O3 |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.10045 |
| Heavy Atoms | 15 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 112997-60-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].[NH4+] |
| InChIKey | DDUXGSQMKITHGC-UHFFFAOYSA-N |
Product Overview
butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt (CAS 112997-60-1), with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol. IUPAC: azanium 4-anilino-4-oxobutanoate.
Chemical Property Profile of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt
Property Insights of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt. Following Lipinski's Rule of Five, butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt 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 butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt?
The CAS number of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt is 112997-60-1.
What is the molecular formula of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt?
The molecular formula of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt is C10H14N2O3.
What is the molecular weight of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt?
The molecular weight of butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt is 210.10 g/mol.
Where can I buy butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt?
You can request a quote for butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt?
Yes, KEHONG BIO provides custom synthesis services for butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.