氯甲基酮甲氨蝶呤
TL;DR: 氯甲基酮甲氨蝶呤 (CAS 88371-84-0) is a chemical compound with molecular formula C21H23ClN8O4 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲基酮甲氨蝶呤
(2S)-6-chloro-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxohexanoic acid
Also Known As: Chloromethylketone methotrexate, Methotrexate chloromethylketone analog, 4-Amino-4-deoxy-N(10)-methylpteroyl-(6-chloro-5-oxo)norleucine, (2S)-6-chloro-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxohexanoic acid, 6-chloro-n-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-5-oxo-l-norleucine
| Molecular Formula | C21H23ClN8O4 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.15308 |
| Heavy Atoms | 34 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 88371-84-0 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)CCl)C(=O)O |
| InChIKey | WBHNGOGKCVORNA-HNNXBMFYSA-N |
Product Overview
氯甲基酮甲氨蝶呤 (CAS 88371-84-0), with molecular formula C21H23ClN8O4 and molecular weight 486.15 g/mol. IUPAC: (2S)-6-chloro-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxohexanoic acid.
Chemical Property Profile of 氯甲基酮甲氨蝶呤
Property Insights of 氯甲基酮甲氨蝶呤
The XLogP value of -1.1 indicates that 氯甲基酮甲氨蝶呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting 氯甲基酮甲氨蝶呤 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯甲基酮甲氨蝶呤 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氯甲基酮甲氨蝶呤?
The CAS number of 氯甲基酮甲氨蝶呤 is 88371-84-0.
What is the molecular formula of 氯甲基酮甲氨蝶呤?
The molecular formula of 氯甲基酮甲氨蝶呤 is C21H23ClN8O4.
What is the molecular weight of 氯甲基酮甲氨蝶呤?
The molecular weight of 氯甲基酮甲氨蝶呤 is 486.15 g/mol.
Where can I buy 氯甲基酮甲氨蝶呤?
You can request a quote for 氯甲基酮甲氨蝶呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲基酮甲氨蝶呤?
Yes, KEHONG BIO provides custom synthesis services for 氯甲基酮甲氨蝶呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.