AC1L5IB3
2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid|2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CAS: 20323-72-2
| Molecular Formula | C21H21ClN6O5 |
|---|---|
| Molecular Weight | 472.1262 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.1262 |
| Monoisotopic Mass | 472.1262 |
| Heavy Atoms | 33 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 20323-72-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl |
| InChIKey | PFAJRSFHQCUKQB-UHFFFAOYSA-N |
Product Overview
AC1L5IB3 (CAS 20323-72-2), with molecular formula C21H21ClN6O5 and molecular weight 472.1262 g/mol. IUPAC: 2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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