重氮酮甲氨蝶呤
TL;DR: 重氮酮甲氨蝶呤 (CAS 82972-54-1) is a chemical compound with molecular formula C21H22N10O4 and molecular weight 478.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
重氮酮甲氨蝶呤
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-diazo-5-oxohexanoic acid
Also Known As: Diazoketone methotrexate, Methotrexate diazoketone analog, 4-Amino-4-deoxy-N-10-methylpteroyl-(6-diazo-5-oxo)norleucine, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-diazo-5-oxohexanoic acid, L-Norleucine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-6-diazo-5-oxo-
| Molecular Formula | C21H22N10O4 |
|---|---|
| Molecular Weight | 478.18 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.18256 |
| Heavy Atoms | 35 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 82972-54-1 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O |
| InChIKey | DUYMESGXUXXYQB-HNNXBMFYSA-N |
Product Overview
重氮酮甲氨蝶呤 (CAS 82972-54-1), with molecular formula C21H22N10O4 and molecular weight 478.18 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-diazo-5-oxohexanoic acid.
Chemical Property Profile of 重氮酮甲氨蝶呤
Property Insights of 重氮酮甲氨蝶呤
The XLogP value of -1.7 indicates that 重氮酮甲氨蝶呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting 重氮酮甲氨蝶呤 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 重氮酮甲氨蝶呤 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 重氮酮甲氨蝶呤?
The CAS number of 重氮酮甲氨蝶呤 is 82972-54-1.
What is the molecular formula of 重氮酮甲氨蝶呤?
The molecular formula of 重氮酮甲氨蝶呤 is C21H22N10O4.
What is the molecular weight of 重氮酮甲氨蝶呤?
The molecular weight of 重氮酮甲氨蝶呤 is 478.18 g/mol.
Where can I buy 重氮酮甲氨蝶呤?
You can request a quote for 重氮酮甲氨蝶呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 重氮酮甲氨蝶呤?
Yes, KEHONG BIO provides custom synthesis services for 重氮酮甲氨蝶呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.