![2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid structure](/static/products/5623/56239-22-6.webp)
2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
TL;DR: 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid (CAS 56239-22-6) is a chemical compound with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Also Known As: 5,8-Deazaisofolic acid, 2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid, (2S)-2-[(4-{[(2,4-diaminoquinazolin-6-yl)amino]methyl}phenyl)formamido]pentanedioic acid, (2S)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid, (S)-2-(4-(((2,4-Diaminoquinazolin-6-yl)amino)methyl)benzamido)pentanedioic acid
| Molecular Formula | C21H22N6O5 |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.16516 |
| Heavy Atoms | 32 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 56239-22-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | SSPKJOYJIAOUSU-UHFFFAOYSA-N |
Product Overview
2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid (CAS 56239-22-6), with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol. IUPAC: 2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
Property Insights of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid. The TPSA of 194.0 Ų indicates high polarity, suggesting 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic 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 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid?
The CAS number of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid is 56239-22-6.
What is the molecular formula of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid?
The molecular formula of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid is C21H22N6O5.
What is the molecular weight of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid?
The molecular weight of 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid is 438.17 g/mol.
Where can I buy 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid?
You can request a quote for 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.