Mcmc 6317; U 71038
TL;DR: Mcmc 6317; U 71038 (CAS 117708-13-1) is a chemical compound with molecular formula C50H75N9O8 and molecular weight 929.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[1-[[1-[[5-hydroxy-2,8-dimethyl-7-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Ditekiren, MCMC 6317; U 71038, L-Histidinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-phenylalanyl-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-Nalpha-methyl-
| Molecular Formula | C50H75N9O8 |
|---|---|
| Molecular Weight | 929.57 g/mol |
| LogP | 4.7026 |
| Topological Polar Surface Area | 228.05 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 929.57385 |
| Heavy Atoms | 67 |
| Complexity | 2044.1584 |
Chemical Identifiers
| CAS Number | 117708-13-1 |
|---|---|
| SMILES | CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)OC(C)(C)C)O)C(C)C |
Product Overview
Mcmc 6317; U 71038 (CAS 117708-13-1), with molecular formula C50H75N9O8 and molecular weight 929.57 g/mol. IUPAC: tert-butyl 2-[[1-[[1-[[5-hydroxy-2,8-dimethyl-7-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of Mcmc 6317; U 71038
Property Insights of Mcmc 6317; U 71038
The XLogP value of 4.7026 indicates that Mcmc 6317; U 71038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.05 Ų indicates high polarity, suggesting Mcmc 6317; U 71038 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mcmc 6317; U 71038 has 6 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 Mcmc 6317; U 71038?
The CAS number of Mcmc 6317; U 71038 is 117708-13-1.
What is the molecular formula of Mcmc 6317; U 71038?
The molecular formula of Mcmc 6317; U 71038 is C50H75N9O8.
What is the molecular weight of Mcmc 6317; U 71038?
The molecular weight of Mcmc 6317; U 71038 is 929.57 g/mol.
Where can I buy Mcmc 6317; U 71038?
You can request a quote for Mcmc 6317; U 71038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mcmc 6317; U 71038?
Yes, KEHONG BIO provides custom synthesis services for Mcmc 6317; U 71038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.