D0N8JP
TL;DR: D0N8JP (CAS 247131-79-9) is a chemical compound with molecular formula C23H31N5O6S and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid;methanesulfonic acid
| Molecular Formula | C23H31N5O6S |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | 1.58737 |
| Topological Polar Surface Area | 170.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.1995 |
| Heavy Atoms | 35 |
| Complexity | 1142.2468 |
Chemical Identifiers
| CAS Number | 247131-79-9 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CC2=C1C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N |
Product Overview
D0N8JP (CAS 247131-79-9), with molecular formula C23H31N5O6S and molecular weight 505.20 g/mol. IUPAC: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid;methanesulfonic acid.
Chemical Property Profile of D0N8JP
Property Insights of D0N8JP
The XLogP value of 1.58737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D0N8JP. The TPSA of 170.14 Ų indicates high polarity, suggesting D0N8JP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D0N8JP has 4 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 D0N8JP?
The CAS number of D0N8JP is 247131-79-9.
What is the molecular formula of D0N8JP?
The molecular formula of D0N8JP is C23H31N5O6S.
What is the molecular weight of D0N8JP?
The molecular weight of D0N8JP is 505.20 g/mol.
Where can I buy D0N8JP?
You can request a quote for D0N8JP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D0N8JP?
Yes, KEHONG BIO provides custom synthesis services for D0N8JP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.