10-Methyl-10-deazaaminopterin
TL;DR: 10-Methyl-10-deazaaminopterin (CAS 80576-77-8) is a chemical compound with molecular formula C21H23N7O5 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)propan-2-yl]benzoyl]amino]pentanedioic acid
Also Known As: 10-Methyl-10-deazaaminopterin, 10-methyl-10-deaza-aminopterin, (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)propan-2-yl]benzoyl]amino]pentanedioic acid, (4-(1-(2,4-diaminopteridin-6-yl)propan-2-yl)benzoyl)-L-glutamic acid, L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)-1-methylethyl)benzoyl)-
| Molecular Formula | C21H23N7O5 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.17606 |
| Heavy Atoms | 33 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 80576-77-8 |
|---|---|
| SMILES | CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | MQISJAZESFPIPJ-SBNLOKMTSA-N |
Product Overview
10-Methyl-10-deazaaminopterin (CAS 80576-77-8), with molecular formula C21H23N7O5 and molecular weight 453.18 g/mol. IUPAC: (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)propan-2-yl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 10-Methyl-10-deazaaminopterin
Property Insights of 10-Methyl-10-deazaaminopterin
The XLogP value of -0.9 indicates that 10-Methyl-10-deazaaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting 10-Methyl-10-deazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Methyl-10-deazaaminopterin has 5 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 10-Methyl-10-deazaaminopterin?
The CAS number of 10-Methyl-10-deazaaminopterin is 80576-77-8.
What is the molecular formula of 10-Methyl-10-deazaaminopterin?
The molecular formula of 10-Methyl-10-deazaaminopterin is C21H23N7O5.
What is the molecular weight of 10-Methyl-10-deazaaminopterin?
The molecular weight of 10-Methyl-10-deazaaminopterin is 453.18 g/mol.
Where can I buy 10-Methyl-10-deazaaminopterin?
You can request a quote for 10-Methyl-10-deazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Methyl-10-deazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 10-Methyl-10-deazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.