6-MAB-L-Phe-L-Asp
TL;DR: 6-MAB-L-Phe-L-Asp (CAS 82144-24-9) is a chemical compound with molecular formula C28H29N9O6 and molecular weight 587.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
Also Known As: 6-MAB-L-Phe-L-Asp, Aspartic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-3-phenyl-L-alanyl)-, L-, N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-phenylalanyl)-L-aspartic acid, L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-phenylalanyl)-, (2S)-2-[(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]-3-phenylpropanamido]butanedioic acid
| Molecular Formula | C28H29N9O6 |
|---|---|
| Molecular Weight | 587.22 g/mol |
| LogP | 0.6058 |
| Topological Polar Surface Area | 239.64 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 587.22406 |
| Heavy Atoms | 43 |
| Complexity | 1650.3741 |
Chemical Identifiers
| CAS Number | 82144-24-9 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Product Overview
6-MAB-L-Phe-L-Asp (CAS 82144-24-9), with molecular formula C28H29N9O6 and molecular weight 587.22 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid.
Chemical Property Profile of 6-MAB-L-Phe-L-Asp
Property Insights of 6-MAB-L-Phe-L-Asp
The XLogP value of 0.6058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-MAB-L-Phe-L-Asp. The TPSA of 239.64 Ų indicates high polarity, suggesting 6-MAB-L-Phe-L-Asp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-MAB-L-Phe-L-Asp has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-MAB-L-Phe-L-Asp?
The CAS number of 6-MAB-L-Phe-L-Asp is 82144-24-9.
What is the molecular formula of 6-MAB-L-Phe-L-Asp?
The molecular formula of 6-MAB-L-Phe-L-Asp is C28H29N9O6.
What is the molecular weight of 6-MAB-L-Phe-L-Asp?
The molecular weight of 6-MAB-L-Phe-L-Asp is 587.22 g/mol.
Where can I buy 6-MAB-L-Phe-L-Asp?
You can request a quote for 6-MAB-L-Phe-L-Asp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-MAB-L-Phe-L-Asp?
Yes, KEHONG BIO provides custom synthesis services for 6-MAB-L-Phe-L-Asp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.