ABT-538, aza deriv.
TL;DR: ABT-538, aza deriv. (CAS 162739-33-5) is a chemical compound with molecular formula C31H39N3O6 and molecular weight 549.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S,3S)-3-hydroxy-4-[(2-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]carbamate
Also Known As: ABT-538, aza deriv., 5S-N-(Benzyloxycarbonyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-o-methoxyphenyl-6-phenyl-2-azahexane, benzyl N-[(1S,2S)-1-benzyl-3-[(tert-butoxycarbonylamino)-[(2-methoxyphenyl)methyl]amino]-2-hydroxy-propyl]carbamate, benzyl N-[(2S,3S)-3-hydroxy-4-[(2-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]carbamate, Hydrazinecarboxylicacid,2-[2-hydroxy-4-phenyl-3-[[(phenylmethoxy)carbonyl]amino]butyl]-2-[(2-methoxyphenyl)methyl]-,1,1-dimethylethyl ester, [S-(R*,R*)]- (9CI)
| Molecular Formula | C31H39N3O6 |
|---|---|
| Molecular Weight | 549.28 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 549.2839 |
| Heavy Atoms | 40 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 162739-33-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NN(CC1=CC=CC=C1OC)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | GGHUHVRTUHCIJD-SVBPBHIXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ABT-538, aza deriv. (CAS 162739-33-5), with molecular formula C31H39N3O6 and molecular weight 549.28 g/mol. IUPAC: benzyl N-[(2S,3S)-3-hydroxy-4-[(2-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of ABT-538, aza deriv.
Property Insights of ABT-538, aza deriv.
The XLogP value of 5.2 indicates that ABT-538, aza deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 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 3 hydrogen bond donor(s) and 7 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, aza deriv.?
The CAS number of ABT-538, aza deriv. is 162739-33-5.
What is the molecular formula of ABT-538, aza deriv.?
The molecular formula of ABT-538, aza deriv. is C31H39N3O6.
What is the molecular weight of ABT-538, aza deriv.?
The molecular weight of ABT-538, aza deriv. is 549.28 g/mol.
Where can I buy ABT-538, aza deriv.?
You can request a quote for ABT-538, 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, aza deriv.?
Yes, KEHONG BIO provides custom synthesis services for ABT-538, aza deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.