KST-1B0873
TL;DR: KST-1B0873 (CAS 16586-52-0) is a chemical compound with molecular formula C35H44N6O5S2 and molecular weight 692.28 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-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Also Known As: KST-1B0873, 1,3-thiazol-5-ylmethyl[(2s,3s,5s)-3-hydroxy-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate, 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-, thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]propanoyl]amino]-5-phenyl-pentyl]carbamate, (2S)-N-[(2S,4S,5S)-4-Hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}amino)methylidene]amino}propanimidic acid
| Molecular Formula | C35H44N6O5S2 |
|---|---|
| Molecular Weight | 692.28 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 692.28143 |
| Heavy Atoms | 48 |
| Complexity | 999.0 |
Chemical Identifiers
| CAS Number | 16586-52-0 |
|---|---|
| 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=CSC(=N4)C(C)C |
| InChIKey | YPNXNHKRONMOHU-WQMHXLODSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B0873 (CAS 16586-52-0), with molecular formula C35H44N6O5S2 and molecular weight 692.28 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
Chemical Property Profile of KST-1B0873
Property Insights of KST-1B0873
The XLogP value of 5.1 indicates that KST-1B0873 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting KST-1B0873 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0873 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-1B0873?
The CAS number of KST-1B0873 is 16586-52-0.
What is the molecular formula of KST-1B0873?
The molecular formula of KST-1B0873 is C35H44N6O5S2.
What is the molecular weight of KST-1B0873?
The molecular weight of KST-1B0873 is 692.28 g/mol.
Where can I buy KST-1B0873?
You can request a quote for KST-1B0873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0873?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.