KST-1B0874
TL;DR: KST-1B0874 (CAS 16586-72-4) is a chemical compound with molecular formula C36H46N6O5S2 and molecular weight 706.30 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-[[ethyl-[(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-1B0874, 1,3-thiazol-5-ylmethyl[(2s,3s,5s)-5-{[n-(ethyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-alanyl]amino}-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate, 2,7,10,12-Tetraazatetradecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-, (1,3-Thiazol-5-yl)methyl [(2S,3S,5S)-5-{[N-(ethyl{[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-[[ethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
| Molecular Formula | C36H46N6O5S2 |
|---|---|
| Molecular Weight | 706.30 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 706.2971 |
| Heavy Atoms | 49 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 16586-72-4 |
|---|---|
| SMILES | CCN(CC1=CSC(=N1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O |
| InChIKey | RWOAUOVLRZPDRW-DXUTUMGHSA-N |
Product Overview
KST-1B0874 (CAS 16586-72-4), with molecular formula C36H46N6O5S2 and molecular weight 706.30 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[ethyl-[(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-1B0874
Property Insights of KST-1B0874
The XLogP value of 5.5 indicates that KST-1B0874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting KST-1B0874 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0874 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-1B0874?
The CAS number of KST-1B0874 is 16586-72-4.
What is the molecular formula of KST-1B0874?
The molecular formula of KST-1B0874 is C36H46N6O5S2.
What is the molecular weight of KST-1B0874?
The molecular weight of KST-1B0874 is 706.30 g/mol.
Where can I buy KST-1B0874?
You can request a quote for KST-1B0874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0874?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.