J1.402.952D
TL;DR: J1.402.952D (CAS 292141-31-2) is a chemical compound with molecular formula C48H59ClN12O8 and molecular weight 966.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-2-ylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Also Known As: J1.402.952D, Luteinizing Hormone-Releasing Hormone Antagonist, (2R)-N-[(1R)-1-{[(1R)-1-[({[(2S)-5-carbamimidamido-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}methyl)carbamoyl]-2-(pyridin-2-yl)ethyl]carbamoyl}-2-(4-chlorophenyl)ethyl]-2-acetamido-3-(naphthalen-2-yl)propanamide
| Molecular Formula | C48H59ClN12O8 |
|---|---|
| Molecular Weight | 966.43 g/mol |
| LogP | 0.026 |
| Topological Polar Surface Area | 315.29 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 966.42676 |
| Heavy Atoms | 69 |
| Complexity | 2506.4873 |
Chemical Identifiers
| CAS Number | 292141-31-2 |
|---|---|
| SMILES | C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC2=CC=CC=N2)NC(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)C |
Product Overview
J1.402.952D (CAS 292141-31-2), with molecular formula C48H59ClN12O8 and molecular weight 966.43 g/mol. IUPAC: (2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-2-ylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of J1.402.952D
Property Insights of J1.402.952D
The XLogP value of 0.026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.402.952D. The TPSA of 315.29 Ų indicates high polarity, suggesting J1.402.952D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.402.952D has 9 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 J1.402.952D?
The CAS number of J1.402.952D is 292141-31-2.
What is the molecular formula of J1.402.952D?
The molecular formula of J1.402.952D is C48H59ClN12O8.
What is the molecular weight of J1.402.952D?
The molecular weight of J1.402.952D is 966.43 g/mol.
Where can I buy J1.402.952D?
You can request a quote for J1.402.952D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.402.952D?
Yes, KEHONG BIO provides custom synthesis services for J1.402.952D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.