KST-1B0837
TL;DR: KST-1B0837 (CAS 16347-97-0) is a chemical compound with molecular formula C34H45N7O6S2 and molecular weight 711.29 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)-4-[furan-3-ylmethyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: KST-1B0837, 5S-(((5-Thiazolyl)methoxy)carbonyl)amino-2-N-(((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valinyl)amino-4S-hydroxy-1-(3-furanyl)-6-phenyl-2-azahexane, 1,3-thiazol-5-ylmethyl{(1s,2s)-1-benzyl-3-[1-(furan-3-ylmethyl)-2-{(2s)-3-methyl-2-[(methyl{[2-(1-methylethyl)-1,3-thiazol-4-yl]methyl}carbamoyl)amino]butanoyl}hydrazino]-2-hydroxypropyl}carbamate(non-preferred name), (1,3-Thiazol-5-yl)methyl [(2S,3S)-4-(1-[(furan-3-yl)methyl]-2-{(2S)-3-methyl-2-[(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)amino]butanoyl}hydrazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]carbamate, 1,3-thiazol-5-ylmethyl N-[(2S,3S)-4-[furan-3-ylmethyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
| Molecular Formula | C34H45N7O6S2 |
|---|---|
| Molecular Weight | 711.29 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 711.2873 |
| Heavy Atoms | 49 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 16347-97-0 |
|---|---|
| SMILES | CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NN(CC2=COC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O |
| InChIKey | DUXVXGNXLHNHNH-DTXPUJKBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B0837 (CAS 16347-97-0), with molecular formula C34H45N7O6S2 and molecular weight 711.29 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S)-4-[furan-3-ylmethyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of KST-1B0837
Property Insights of KST-1B0837
The XLogP value of 4.5 indicates that KST-1B0837 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting KST-1B0837 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0837 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B0837?
The CAS number of KST-1B0837 is 16347-97-0.
What is the molecular formula of KST-1B0837?
The molecular formula of KST-1B0837 is C34H45N7O6S2.
What is the molecular weight of KST-1B0837?
The molecular weight of KST-1B0837 is 711.29 g/mol.
Where can I buy KST-1B0837?
You can request a quote for KST-1B0837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0837?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.