KST-1B0876
TL;DR: KST-1B0876 (CAS 16596-74-0) is a chemical compound with molecular formula C37H46N6O5S2 and molecular weight 718.30 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)-5-[[(2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Also Known As: KST-1B0876, 2,4,7,12-Tetraazatridecan-13-oic acid, 2-cyclopropyl-10-hydroxy-5-methyl-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-, 1,3-thiazol-5-ylmethyl[(2s,3s,5s)-5-{[n-(cyclopropyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-alanyl]amino}-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate, (1,3-Thiazol-5-yl)methyl [(2S,3S,5S)-5-{[N-(cyclopropyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-alanyl]amino}-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate, 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
| Molecular Formula | C37H46N6O5S2 |
|---|---|
| Molecular Weight | 718.30 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 718.2971 |
| Heavy Atoms | 50 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 16596-74-0 |
|---|---|
| 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(CC4=CSC(=N4)C(C)C)C5CC5 |
| InChIKey | UUEYXVABPDEFJP-KONZEVEYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B0876 (CAS 16596-74-0), with molecular formula C37H46N6O5S2 and molecular weight 718.30 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate.
Chemical Property Profile of KST-1B0876
Property Insights of KST-1B0876
The XLogP value of 5.6 indicates that KST-1B0876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting KST-1B0876 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0876 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-1B0876?
The CAS number of KST-1B0876 is 16596-74-0.
What is the molecular formula of KST-1B0876?
The molecular formula of KST-1B0876 is C37H46N6O5S2.
What is the molecular weight of KST-1B0876?
The molecular weight of KST-1B0876 is 718.30 g/mol.
Where can I buy KST-1B0876?
You can request a quote for KST-1B0876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0876?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.