Heterocyclic Azahexane deriv.
TL;DR: Heterocyclic Azahexane deriv. (CAS 198903-91-2) is a chemical compound with molecular formula C36H50N6O7S and molecular weight 710.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(2S)-1-[[(2S,3S)-4-[[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-5-yl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Also Known As: Heterocyclic Azahexane deriv., J1.006.720K, 1-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane, ((S)-1-{(1S,2S)-1-Benzyl-3-[N''-((S)-2-ethoxycarbonylamino-3-methyl-butyryl)-N-(4-thiazol-5-yl-benzyl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester, 1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hvdroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane
| Molecular Formula | C36H50N6O7S |
|---|---|
| Molecular Weight | 710.35 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 710.3462 |
| Heavy Atoms | 50 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 198903-91-2 |
|---|---|
| SMILES | CCOC(=O)N[C@@H](C(C)C)C(=O)NN(CC1=CC=C(C=C1)C2=CN=CS2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O |
| InChIKey | ZSNULXPDQVLDNK-UOPKXQBNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heterocyclic Azahexane deriv. (CAS 198903-91-2), with molecular formula C36H50N6O7S and molecular weight 710.35 g/mol. IUPAC: methyl N-[(2S)-1-[[(2S,3S)-4-[[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-5-yl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Heterocyclic Azahexane deriv.
Property Insights of Heterocyclic Azahexane deriv.
The XLogP value of 5.7 indicates that Heterocyclic Azahexane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Heterocyclic Azahexane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heterocyclic Azahexane deriv. has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heterocyclic Azahexane deriv.?
The CAS number of Heterocyclic Azahexane deriv. is 198903-91-2.
What is the molecular formula of Heterocyclic Azahexane deriv.?
The molecular formula of Heterocyclic Azahexane deriv. is C36H50N6O7S.
What is the molecular weight of Heterocyclic Azahexane deriv.?
The molecular weight of Heterocyclic Azahexane deriv. is 710.35 g/mol.
Where can I buy Heterocyclic Azahexane deriv.?
You can request a quote for Heterocyclic Azahexane deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heterocyclic Azahexane deriv.?
Yes, KEHONG BIO provides custom synthesis services for Heterocyclic Azahexane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.