S 863390
TL;DR: S 863390 (CAS 130024-92-9) is a chemical compound with molecular formula C37H52N6O4 and molecular weight 644.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[[(2S)-2-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
Also Known As: S 863390, S-863390, N-[(2S)-1-[[(2S)-2-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide, Cyclohexanecarboxylicacid,2-hydroxy-,cis-,hydrazide (5CI), (S-(R*,R*))-N-(3-Methyl-1-oxobutyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2-hydroxy-5-(2-pyridinyl)pentyl)-L-histidinamide
| Molecular Formula | C37H52N6O4 |
|---|---|
| Molecular Weight | 644.40 g/mol |
| LogP | 4.4446 |
| Topological Polar Surface Area | 149.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 644.405 |
| Heavy Atoms | 47 |
| Complexity | 1345.6885 |
Chemical Identifiers
| CAS Number | 130024-92-9 |
|---|---|
| SMILES | CC(C)CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@H](CC2=CN=CN2)N[C@@H](CC3CCCCC3)[C@H](CCCC4=CC=CC=N4)O |
Product Overview
S 863390 (CAS 130024-92-9), with molecular formula C37H52N6O4 and molecular weight 644.40 g/mol. IUPAC: N-[(2S)-1-[[(2S)-2-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide.
Chemical Property Profile of S 863390
Property Insights of S 863390
The XLogP value of 4.4446 indicates that S 863390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.1 Ų indicates high polarity, suggesting S 863390 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S 863390 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S 863390?
The CAS number of S 863390 is 130024-92-9.
What is the molecular formula of S 863390?
The molecular formula of S 863390 is C37H52N6O4.
What is the molecular weight of S 863390?
The molecular weight of S 863390 is 644.40 g/mol.
Where can I buy S 863390?
You can request a quote for S 863390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 863390?
Yes, KEHONG BIO provides custom synthesis services for S 863390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.