J1.226.401A
TL;DR: J1.226.401A (CAS 258326-83-9) is a chemical compound with molecular formula C36H46N5O9P and molecular weight 723.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(2-hydroxynaphthalen-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid
Also Known As: J1.226.401A, ({4-[(2S)-2-[(1-{[(1S)-2-carbamoyl-1-{[3-(2-hydroxynaphthalen-1-yl)propyl]carbamoyl}ethyl]carbamoyl}cyclohexyl)carbamoyl]-2-acetamidoethyl]phenyl}methyl)phosphonic acid, [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(2-hydroxynaphthalen-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid, {4-[(S)-2-Acetylamino-2-(1-{(S)-2-carbamoyl-1-[3-(2-hydroxy-naphthalen-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid, N2-[[1-[[Ac-4-(Phosphonomethyl)-L-Phe-]amino]cyclohexyl]carbonyl]-L-Asn-[3-(2-hydroxy-1-naphthalenyl)propyl]-NH2
| Molecular Formula | C36H46N5O9P |
|---|---|
| Molecular Weight | 723.30 g/mol |
| LogP | 2.1986 |
| Topological Polar Surface Area | 237.25 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 723.30334 |
| Heavy Atoms | 51 |
| Complexity | 1787.3081 |
Chemical Identifiers
| CAS Number | 258326-83-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=C(C=C1)CP(=O)(O)O)C(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC3=C(C=CC4=CC=CC=C43)O |
Product Overview
J1.226.401A (CAS 258326-83-9), with molecular formula C36H46N5O9P and molecular weight 723.30 g/mol. IUPAC: [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(2-hydroxynaphthalen-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid.
Chemical Property Profile of J1.226.401A
Property Insights of J1.226.401A
The XLogP value of 2.1986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.226.401A. The TPSA of 237.25 Ų indicates high polarity, suggesting J1.226.401A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.226.401A 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 J1.226.401A?
The CAS number of J1.226.401A is 258326-83-9.
What is the molecular formula of J1.226.401A?
The molecular formula of J1.226.401A is C36H46N5O9P.
What is the molecular weight of J1.226.401A?
The molecular weight of J1.226.401A is 723.30 g/mol.
Where can I buy J1.226.401A?
You can request a quote for J1.226.401A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.226.401A?
Yes, KEHONG BIO provides custom synthesis services for J1.226.401A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.