ABT-538, aza deriv.
TL;DR: ABT-538, aza deriv. (CAS 162739-43-7) is a chemical compound with molecular formula C30H37N3O6 and molecular weight 535.26825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]carbamate
Also Known As: ABT-538, aza deriv., 5S-(Benzyloxycarbonyl)amino-2N-(N-(t-butyloxycarbonyl)amino)-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane, benzyl N-[(1S,2S)-1-benzyl-3-[(tert-butoxycarbonylamino)-[(4-hydroxyphenyl)methyl]amino]-2-hydroxy-propyl]carbamate, benzyl N-[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]carbamate, tert-Butyl 2-[(2S,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-2-[(4-hydroxyphenyl)methyl]hydrazine-1-carboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H37N3O6 |
| Molecular Weight | 535.26825 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 535.26825 Da |
| Heavy Atoms | 39 |
| Complexity | 725.0 |
| SMILES | CC(C)(C)OC(=O)NN(CC1=CC=C(C=C1)O)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | NJYXGSUSSZIXAU-SVBPBHIXSA-N |
Chemical Property Profile of ABT-538, aza deriv.
Property Insights of ABT-538, aza deriv.
The XLogP value of 4.9 indicates that ABT-538, aza deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT-538, aza deriv.. Following Lipinski's Rule of Five, ABT-538, aza deriv. has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ABT-538, aza deriv.?
The CAS number of ABT-538, aza deriv. is 162739-43-7.
What is the molecular formula of ABT-538, aza deriv.?
The molecular formula of ABT-538, aza deriv. is C30H37N3O6.
What is the molecular weight of ABT-538, aza deriv.?
The molecular weight of ABT-538, aza deriv. is 535.26825 g/mol.
Where can I buy ABT-538, aza deriv.?
You can request a quote for ABT-538, aza deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ABT-538, aza deriv.?
Yes, CoreyChem provides custom synthesis services for ABT-538, aza deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.