C43H60IN7O6
TL;DR: C43H60IN7O6 (CAS 130507-23-2) is a chemical compound with molecular formula C43H60IN7O6 and molecular weight 897.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-[[(1R,2R)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide
Also Known As: Sdz 213-776, Sdz-213-776, L-Histidinamide,N-[3-(3-hydroxy-4-iodophenyl)-1-oxopropyl]-L-phenylalanyl-N-[2-[[1-[(butylamino)carbonyl]-3-pentenyl]amino]-1-(cyclohexylmethyl)-2-hydroxyethyl]-,[1S-[1R*,2S*(R*)]]- (9CI), N-Butyl-2-[[(1R,2R)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide
| Molecular Formula | C43H60IN7O6 |
|---|---|
| Molecular Weight | 897.37 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 897.365 |
| Heavy Atoms | 57 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 130507-23-2 |
|---|---|
| SMILES | CCCCNC(=O)C(CC=CC)N[C@@H]([C@@H](CC1CCCCC1)N[C@@H](CC2=CN=CN2)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC4=CC(=C(C=C4)I)O)O |
| InChIKey | LIPAPUJYAPLADJ-MJUOEZSGSA-N |
Product Overview
C43H60IN7O6 (CAS 130507-23-2), with molecular formula C43H60IN7O6 and molecular weight 897.37 g/mol. IUPAC: N-butyl-2-[[(1R,2R)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide.
Chemical Property Profile of C43H60IN7O6
Property Insights of C43H60IN7O6
The XLogP value of 6.8 indicates that C43H60IN7O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting C43H60IN7O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C43H60IN7O6 has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C43H60IN7O6?
The CAS number of C43H60IN7O6 is 130507-23-2.
What is the molecular formula of C43H60IN7O6?
The molecular formula of C43H60IN7O6 is C43H60IN7O6.
What is the molecular weight of C43H60IN7O6?
The molecular weight of C43H60IN7O6 is 897.37 g/mol.
Where can I buy C43H60IN7O6?
You can request a quote for C43H60IN7O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C43H60IN7O6?
Yes, KEHONG BIO provides custom synthesis services for C43H60IN7O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.