2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid
TL;DR: 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid (CAS 119820-56-3) is a chemical compound with molecular formula C26H26N4O6 and molecular weight 490.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-Deamino-2,3-DM-pddf, 2-Desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid, (2S)-2-[[4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid, 2-desamino-2,3-dimethyl-N10-propargyl-5,8-dideazafolate, L-Glutamic acid, N-(4-(((3,4-dihydro-2,3-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-
| Molecular Formula | C26H26N4O6 |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.18524 |
| Heavy Atoms | 36 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 119820-56-3 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1C |
| InChIKey | ZZLZQCHJVCQSAK-QFIPXVFZSA-N |
Product Overview
2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid (CAS 119820-56-3), with molecular formula C26H26N4O6 and molecular weight 490.19 g/mol. IUPAC: (2S)-2-[[4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid
Property Insights of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid has 3 hydrogen bond donor(s) and 8 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 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid?
The CAS number of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid is 119820-56-3.
What is the molecular formula of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid?
The molecular formula of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid is C26H26N4O6.
What is the molecular weight of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid?
The molecular weight of 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid is 490.19 g/mol.
Where can I buy 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid?
You can request a quote for 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-desamino-2,3-dimethyl-N(10)-propargyl-5,8-dideazafolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.