KST-1B0877
TL;DR: KST-1B0877 (CAS 16607-58-2) is a chemical compound with molecular formula C35H44N6O6S and molecular weight 676.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Also Known As: KST-1B0877, 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-oxazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-, 1,3-thiazol-5-ylmethyl[(2s,3s,5s)-3-hydroxy-5-{[n-(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}carbamoyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate, (1,3-Thiazol-5-yl)methyl [(2S,3S,5S)-3-hydroxy-5-{[N-(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}carbamoyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate, 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
| Molecular Formula | C35H44N6O6S |
|---|---|
| Molecular Weight | 676.30 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 676.3043 |
| Heavy Atoms | 48 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 16607-58-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)CC4=COC(=N4)C(C)C |
| InChIKey | QSZJUKVVXSQWND-WQMHXLODSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B0877 (CAS 16607-58-2), with molecular formula C35H44N6O6S and molecular weight 676.30 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
Chemical Property Profile of KST-1B0877
Property Insights of KST-1B0877
The XLogP value of 4.5 indicates that KST-1B0877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting KST-1B0877 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0877 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B0877?
The CAS number of KST-1B0877 is 16607-58-2.
What is the molecular formula of KST-1B0877?
The molecular formula of KST-1B0877 is C35H44N6O6S.
What is the molecular weight of KST-1B0877?
The molecular weight of KST-1B0877 is 676.30 g/mol.
Where can I buy KST-1B0877?
You can request a quote for KST-1B0877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0877?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.