KST-1A1899
TL;DR: KST-1A1899 (CAS 16595-06-5) is a chemical compound with molecular formula C37H46N6O7S2 and molecular weight 750.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: KST-1A1899, 4-PENTENE-1,1,2,4-TETROL, [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl[(2s)-1-{[(2s,3s,5s)-3-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate, 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-1-(2-(4-morpholinyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,9R*,11R*))-, thiazol-5-ylmethyl N-[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-3-methyl-2-[(2-morpholinothiazol-4-yl)methoxycarbonylamino]butanoyl]amino]-5-phenyl-pentyl]carbamate
| Molecular Formula | C37H46N6O7S2 |
|---|---|
| Molecular Weight | 750.29 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Exact Mass | 750.2869 |
| Heavy Atoms | 52 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 16595-06-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)OCC4=CSC(=N4)N5CCOCC5 |
| InChIKey | QKXDEGQBWWEGAJ-XGKFQTDJSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1A1899 (CAS 16595-06-5), with molecular formula C37H46N6O7S2 and molecular weight 750.29 g/mol. IUPAC: (2-morpholin-4-yl-1,3-thiazol-4-yl)methyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of KST-1A1899
Property Insights of KST-1A1899
The XLogP value of 5.4 indicates that KST-1A1899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting KST-1A1899 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A1899 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A1899?
The CAS number of KST-1A1899 is 16595-06-5.
What is the molecular formula of KST-1A1899?
The molecular formula of KST-1A1899 is C37H46N6O7S2.
What is the molecular weight of KST-1A1899?
The molecular weight of KST-1A1899 is 750.29 g/mol.
Where can I buy KST-1A1899?
You can request a quote for KST-1A1899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A1899?
Yes, KEHONG BIO provides custom synthesis services for KST-1A1899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.