4'-Aagb
TL;DR: 4'-Aagb (CAS 79119-49-6) is a chemical compound with molecular formula C16H17ClN4O3 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: 4'-Aagb, 4'-Acetamidophenyl 4-guanidinobenzoate hydrochloride, NIOSH/DH1421600, (R)-3-METHYLHEPTANOICACID, (4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
| Molecular Formula | C16H17ClN4O3 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 2.1909 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0989 |
| Heavy Atoms | 24 |
| Complexity | 738.9228 |
Chemical Identifiers
| CAS Number | 79119-49-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl |
Product Overview
4'-Aagb (CAS 79119-49-6), with molecular formula C16H17ClN4O3 and molecular weight 348.10 g/mol. IUPAC: (4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of 4'-Aagb
Property Insights of 4'-Aagb
The XLogP value of 2.1909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Aagb. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Aagb. Following Lipinski's Rule of Five, 4'-Aagb has 3 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 4'-Aagb?
The CAS number of 4'-Aagb is 79119-49-6.
What is the molecular formula of 4'-Aagb?
The molecular formula of 4'-Aagb is C16H17ClN4O3.
What is the molecular weight of 4'-Aagb?
The molecular weight of 4'-Aagb is 348.10 g/mol.
Where can I buy 4'-Aagb?
You can request a quote for 4'-Aagb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Aagb?
Yes, KEHONG BIO provides custom synthesis services for 4'-Aagb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.