nchembio798-comp2
TL;DR: nchembio798-comp2 (CAS 874148-50-2) is a chemical compound with molecular formula C43H54N8O8 and molecular weight 810.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-6-[(1-carbamoylcyclohexyl)amino]-5-[[(2S)-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-6-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]hexanoyl]amino]-6-oxohexanoic acid
Also Known As: nchembio798-comp2, starbld0039844, LLP-2A, bisaryl urea peptidomimetic 1 (LLP2A), J2.599.832D
| Molecular Formula | C43H54N8O8 |
|---|---|
| Molecular Weight | 810.41 g/mol |
| LogP | 4.10532 |
| Topological Polar Surface Area | 250.81 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 810.40643 |
| Heavy Atoms | 59 |
| Complexity | 1948.1276 |
Chemical Identifiers
| CAS Number | 874148-50-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CCCCNC(=O)/C=C/C3=CN=CC=C3)C(=O)N[C@@H](CCCC(=O)O)C(=O)NC4(CCCCC4)C(=O)N |
Product Overview
nchembio798-comp2 (CAS 874148-50-2), with molecular formula C43H54N8O8 and molecular weight 810.41 g/mol. IUPAC: (5S)-6-[(1-carbamoylcyclohexyl)amino]-5-[[(2S)-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-6-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]hexanoyl]amino]-6-oxohexanoic acid.
Chemical Property Profile of nchembio798-comp2
Property Insights of nchembio798-comp2
The XLogP value of 4.10532 indicates that nchembio798-comp2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 250.81 Ų indicates high polarity, suggesting nchembio798-comp2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, nchembio798-comp2 has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of nchembio798-comp2?
The CAS number of nchembio798-comp2 is 874148-50-2.
What is the molecular formula of nchembio798-comp2?
The molecular formula of nchembio798-comp2 is C43H54N8O8.
What is the molecular weight of nchembio798-comp2?
The molecular weight of nchembio798-comp2 is 810.41 g/mol.
Where can I buy nchembio798-comp2?
You can request a quote for nchembio798-comp2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nchembio798-comp2?
Yes, KEHONG BIO provides custom synthesis services for nchembio798-comp2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.