ABT-538 analog, aza deriv.
TL;DR: ABT-538 analog, aza deriv. (CAS 150767-06-9) is a chemical compound with molecular formula C30H37N3O5 and molecular weight 519.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamate
Also Known As: ABT-538 analog, aza deriv., 2-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6-diphenyl-2-azahexane, N-((benzyloxy)carbonyl)-2S-amino-1-phenyl-but-3-ene, tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamate, 2- amino-4S-hydroxy-5S- amino-1,6-diphenyl-2-azahexane
| Molecular Formula | C30H37N3O5 |
|---|---|
| Molecular Weight | 519.27 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 519.2733 |
| Heavy Atoms | 38 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 150767-06-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NN(CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | QJNMCBADOQXQMJ-SVBPBHIXSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ABT-538 analog, aza deriv. (CAS 150767-06-9), with molecular formula C30H37N3O5 and molecular weight 519.27 g/mol. IUPAC: tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamate.
Chemical Property Profile of ABT-538 analog, aza deriv.
Property Insights of ABT-538 analog, aza deriv.
The XLogP value of 5.3 indicates that ABT-538 analog, aza deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT-538 analog, aza deriv.. Following Lipinski's Rule of Five, ABT-538 analog, aza deriv. has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ABT-538 analog, aza deriv.?
The CAS number of ABT-538 analog, aza deriv. is 150767-06-9.
What is the molecular formula of ABT-538 analog, aza deriv.?
The molecular formula of ABT-538 analog, aza deriv. is C30H37N3O5.
What is the molecular weight of ABT-538 analog, aza deriv.?
The molecular weight of ABT-538 analog, aza deriv. is 519.27 g/mol.
Where can I buy ABT-538 analog, aza deriv.?
You can request a quote for ABT-538 analog, aza deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ABT-538 analog, aza deriv.?
Yes, KEHONG BIO provides custom synthesis services for ABT-538 analog, aza deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.