NSC 144698
TL;DR: NSC 144698 (CAS 136242-91-6) is a chemical compound with molecular formula C21H21F3N8O5 and molecular weight 522.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid
Also Known As: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3-(trifluoromethyl)benzoyl)-, (4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)-3-(trifluoromethyl)benzoyl)-L-glutamic acid, N-[4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}-3-(trifluoromethyl)benzoyl]-L-glutamic acid, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid
| Molecular Formula | C21H21F3N8O5 |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.1587 |
| Heavy Atoms | 37 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 136242-91-6 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(F)(F)F |
| InChIKey | ZHVNNTSMRZRPNO-LBPRGKRZSA-N |
Product Overview
NSC 144698 (CAS 136242-91-6), with molecular formula C21H21F3N8O5 and molecular weight 522.16 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid.
Chemical Property Profile of NSC 144698
Property Insights of NSC 144698
The XLogP value of -1.0 indicates that NSC 144698 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting NSC 144698 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NSC 144698 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 144698?
The CAS number of NSC 144698 is 136242-91-6.
What is the molecular formula of NSC 144698?
The molecular formula of NSC 144698 is C21H21F3N8O5.
What is the molecular weight of NSC 144698?
The molecular weight of NSC 144698 is 522.16 g/mol.
Where can I buy NSC 144698?
You can request a quote for NSC 144698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 144698?
Yes, KEHONG BIO provides custom synthesis services for NSC 144698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.