hydrocinnamate
TL;DR: hydrocinnamate (CAS 514814-49-4) is a chemical compound with molecular formula C45H62N10O6 and molecular weight 838.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide
Also Known As: hydrocinnamate, PMX 205, PMX205, Hydrocinnamate-(orn-Pro-dcha-Trp-Arg), HC-[OP(D-Cha)WR]
| Molecular Formula | C45H62N10O6 |
|---|---|
| Molecular Weight | 838.49 g/mol |
| LogP | 2.2074 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 838.48535 |
| Heavy Atoms | 61 |
| Complexity | 2010.0513 |
Chemical Identifiers
| CAS Number | 514814-49-4 |
|---|---|
| SMILES | C1CCC(CC1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N3CCC[C@H]3C(=O)N2)NC(=O)CCC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65 |
Product Overview
hydrocinnamate (CAS 514814-49-4), with molecular formula C45H62N10O6 and molecular weight 838.49 g/mol. IUPAC: N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide.
Chemical Property Profile of hydrocinnamate
Property Insights of hydrocinnamate
The XLogP value of 2.2074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hydrocinnamate. The TPSA of 246.0 Ų indicates high polarity, suggesting hydrocinnamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, hydrocinnamate has 8 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 hydrocinnamate?
The CAS number of hydrocinnamate is 514814-49-4.
What is the molecular formula of hydrocinnamate?
The molecular formula of hydrocinnamate is C45H62N10O6.
What is the molecular weight of hydrocinnamate?
The molecular weight of hydrocinnamate is 838.49 g/mol.
Where can I buy hydrocinnamate?
You can request a quote for hydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for hydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.