Tetrahydroxyaminopterin
TL;DR: Tetrahydroxyaminopterin (CAS 14231-41-5) is a chemical compound with molecular formula C19H24N8O5 and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: Tetrahydroxyaminopterin, (2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, (4-(((2,4-diamino-1,5,6,7-tetrahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid, 2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylam, L-Glutamic acid, N-(4-(((2,4-diamino-1,5,6,7-tetrahydro-6-pteridinyl)methyl)amino)benzoyl)-
| Molecular Formula | C19H24N8O5 |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.18695 |
| Heavy Atoms | 32 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 14231-41-5 |
|---|---|
| SMILES | C1C(NC2=C(N=C(N=C2N1)N)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | IQOVRBYGMACLKN-KIYNQFGBSA-N |
Product Overview
Tetrahydroxyaminopterin (CAS 14231-41-5), with molecular formula C19H24N8O5 and molecular weight 444.19 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of Tetrahydroxyaminopterin
Property Insights of Tetrahydroxyaminopterin
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroxyaminopterin. The TPSA of 218.0 Ų indicates high polarity, suggesting Tetrahydroxyaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydroxyaminopterin has 8 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 Tetrahydroxyaminopterin?
The CAS number of Tetrahydroxyaminopterin is 14231-41-5.
What is the molecular formula of Tetrahydroxyaminopterin?
The molecular formula of Tetrahydroxyaminopterin is C19H24N8O5.
What is the molecular weight of Tetrahydroxyaminopterin?
The molecular weight of Tetrahydroxyaminopterin is 444.19 g/mol.
Where can I buy Tetrahydroxyaminopterin?
You can request a quote for Tetrahydroxyaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroxyaminopterin?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroxyaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.