beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
TL;DR: beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (CAS 68352-93-2) is a chemical compound with molecular formula C18H20N8O3 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoic acid
Also Known As: 6-MAB-beta-ALA, beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-beta-alanine, N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-beta-alanine, beta-Alanine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
| Molecular Formula | C18H20N8O3 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 0.4251 |
| Topological Polar Surface Area | 173.24 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.16583 |
| Heavy Atoms | 29 |
| Complexity | 1054.9056 |
Chemical Identifiers
| CAS Number | 68352-93-2 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCC(=O)O |
Product Overview
beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (CAS 68352-93-2), with molecular formula C18H20N8O3 and molecular weight 396.17 g/mol. IUPAC: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
Property Insights of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
The XLogP value of 0.4251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-. The TPSA of 173.24 Ų indicates high polarity, suggesting beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- 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 beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-?
The CAS number of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is 68352-93-2.
What is the molecular formula of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-?
The molecular formula of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is C18H20N8O3.
What is the molecular weight of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-?
The molecular weight of beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is 396.17 g/mol.
Where can I buy beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-?
You can request a quote for beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.