KST-1B0987
TL;DR: KST-1B0987 (CAS 17463-28-4) is a chemical compound with molecular formula C36H47N7O6S and molecular weight 705.33 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-[benzyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: KST-1B0987, 5S-((5-Thiazolyl)methoxy)carbonylamino-2-N-((N-methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-4S-hydroxy-1,6-diphenyl-2-azahexane, 1,3-thiazol-5-ylmethyl[(1s,2s)-1-benzyl-3-(1-benzyl-2-{(2s)-3-methyl-2-[(methyl{[2-(1-methylethyl)-1,3-oxazol-4-yl]methyl}carbamoyl)amino]butanoyl}hydrazino)-2-hydroxypropyl]carbamate(non-preferred name), (1,3-Thiazol-5-yl)methyl [(2S,3S)-4-(1-benzyl-2-{(2S)-3-methyl-2-[(methyl{[2-(propan-2-yl)-1,3-oxazol-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-[benzyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
| Molecular Formula | C36H47N7O6S |
|---|---|
| Molecular Weight | 705.33 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 705.3309 |
| Heavy Atoms | 50 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 17463-28-4 |
|---|---|
| SMILES | CC(C)C1=NC(=CO1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NN(CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O |
| InChIKey | RWQWEKNQGFNBGU-CPCREDONSA-N |
Product Overview
KST-1B0987 (CAS 17463-28-4), with molecular formula C36H47N7O6S and molecular weight 705.33 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S)-4-[benzyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of KST-1B0987
Property Insights of KST-1B0987
The XLogP value of 4.8 indicates that KST-1B0987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting KST-1B0987 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0987 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B0987?
The CAS number of KST-1B0987 is 17463-28-4.
What is the molecular formula of KST-1B0987?
The molecular formula of KST-1B0987 is C36H47N7O6S.
What is the molecular weight of KST-1B0987?
The molecular weight of KST-1B0987 is 705.33 g/mol.
Where can I buy KST-1B0987?
You can request a quote for KST-1B0987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0987?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.