anhydroleucovorin
TL;DR: anhydroleucovorin (CAS 7444-29-3) is a chemical compound with molecular formula C20H21N7O6 and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[4-[(6aS)-3-amino-1-oxo-6a,7,9,10a-tetrahydro-2H-imidazo[1,5-f]pteridin-4-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate
Also Known As: anhydroleucovorin, 5,10-methenyltetrahydrofolate, N5,N10-Methenyl tetrahydrofolate, 5,10-Methenyltetrahydropteroylglutamate, (4S)-4-[[4-[(6aS)-3-amino-1-oxo-6a,7,9,10a-tetrahydro-2H-imidazo[1,5-f]pteridin-4-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate
| Molecular Formula | C20H21N7O6 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | -3.789 |
| Topological Polar Surface Area | 194.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.15533 |
| Heavy Atoms | 33 |
| Complexity | 1108.4052 |
Chemical Identifiers
| CAS Number | 7444-29-3 |
|---|---|
| SMILES | C1[C@H]2C=NC3=[N+]=C(NC(=O)C3N2CN1C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O)N |
Product Overview
anhydroleucovorin (CAS 7444-29-3), with molecular formula C20H21N7O6 and molecular weight 455.16 g/mol. IUPAC: (4S)-4-[[4-[(6aS)-3-amino-1-oxo-6a,7,9,10a-tetrahydro-2H-imidazo[1,5-f]pteridin-4-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate.
Chemical Property Profile of anhydroleucovorin
Property Insights of anhydroleucovorin
The XLogP value of -3.789 indicates that anhydroleucovorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.59 Ų indicates high polarity, suggesting anhydroleucovorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, anhydroleucovorin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of anhydroleucovorin?
The CAS number of anhydroleucovorin is 7444-29-3.
What is the molecular formula of anhydroleucovorin?
The molecular formula of anhydroleucovorin is C20H21N7O6.
What is the molecular weight of anhydroleucovorin?
The molecular weight of anhydroleucovorin is 455.16 g/mol.
Where can I buy anhydroleucovorin?
You can request a quote for anhydroleucovorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anhydroleucovorin?
Yes, KEHONG BIO provides custom synthesis services for anhydroleucovorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.