N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid
TL;DR: N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid (CAS 82214-96-8) is a chemical compound with molecular formula C21H25N7O5S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diamino-7-methyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid, Glutamic acid, N-(p-(((2,4-diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-, L-, L-Glutamic acid, N-(4-(((2,4-diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-, -2-[[4-[methyl-methyl-amino]benzoyl]amino]pentanedioicacid, -2-[[4-[ methyl-methyl-amino]benzoyl]amino]pentanedioicacid
| Molecular Formula | C21H25N7O5S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 1.3919 |
| Topological Polar Surface Area | 197.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.1638 |
| Heavy Atoms | 34 |
| Complexity | 1139.0774 |
Chemical Identifiers
| CAS Number | 82214-96-8 |
|---|---|
| SMILES | CC1C(=NC2=C(N=C(N=C2S1)N)N)CN(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
Product Overview
N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid (CAS 82214-96-8), with molecular formula C21H25N7O5S and molecular weight 487.16 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diamino-7-methyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid
Property Insights of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid
The XLogP value of 1.3919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid. The TPSA of 197.12 Ų indicates high polarity, suggesting N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid has 5 hydrogen bond donor(s) and 10 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 N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid?
The CAS number of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid is 82214-96-8.
What is the molecular formula of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid?
The molecular formula of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid is C21H25N7O5S.
What is the molecular weight of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid?
The molecular weight of N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid is 487.16 g/mol.
Where can I buy N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid?
You can request a quote for N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.