5,10-Dideaza-5,6,7,8-tetrahydroaminopterin
TL;DR: 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin (CAS 95674-54-7) is a chemical compound with molecular formula C21H26N6O5 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[2-(2,4-diamino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Also Known As: 5,10-Ddtap, 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin, (2S)-2-[[4-[2-(2,4-diamino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-(4-(2-(2,4-diamino-1,5,6,7-tetrahydropyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-, N-{4-[2-(4-Amino-2-imino-1,2,3,5,6,7-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl}-L-glutamic acid
| Molecular Formula | C21H26N6O5 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.19647 |
| Heavy Atoms | 32 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 95674-54-7 |
|---|---|
| SMILES | C1C(CNC2=NC(=NC(=C21)N)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | JVKOZIXIYHORFY-CVRLYYSRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,10-Dideaza-5,6,7,8-tetrahydroaminopterin (CAS 95674-54-7), with molecular formula C21H26N6O5 and molecular weight 442.20 g/mol. IUPAC: (2S)-2-[[4-[2-(2,4-diamino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin
Property Insights of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin. The TPSA of 194.0 Ų indicates high polarity, suggesting 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin?
The CAS number of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin is 95674-54-7.
What is the molecular formula of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin?
The molecular formula of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin is C21H26N6O5.
What is the molecular weight of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin?
The molecular weight of 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin is 442.20 g/mol.
Where can I buy 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin?
You can request a quote for 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 5,10-Dideaza-5,6,7,8-tetrahydroaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.