![n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid structure](/static/products/2032/20323-72-2.webp)
n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid
TL;DR: n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid (CAS 20323-72-2) is a chemical compound with molecular formula C21H21ClN6O5 and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H21ClN6O5 |
|---|---|
| Molecular Weight | 472.13 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 |
| 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
n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid (CAS 20323-72-2), with molecular formula C21H21ClN6O5 and molecular weight 472.13 g/mol. IUPAC: 2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid
Property Insights of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid. The TPSA of 194.0 Ų indicates high polarity, suggesting n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid?
The CAS number of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid is 20323-72-2.
What is the molecular formula of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid?
The molecular formula of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid is C21H21ClN6O5.
What is the molecular weight of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid?
The molecular weight of n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid is 472.13 g/mol.
Where can I buy n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid?
You can request a quote for n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid?
Yes, KEHONG BIO provides custom synthesis services for n-(4-{[(2,4-diamino-5-chloroquinazolin-6-yl)methyl]amino}benzoyl)glutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.