R 58639
TL;DR: R 58639 (CAS 99157-83-2) is a chemical compound with molecular formula C29H33FN8 and molecular weight 512.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-3H-imidazo[4,5-c]pyridin-2-amine
Also Known As: N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-3H-imidazo[4,5-c]pyridin-2-amine, 1H-Imidazo(4,5-c)pyridin-2-amine, N-(4-(4-((1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)amino)-1-piperidinyl)butyl)-, N-(4-(4-((1-((4-Fluorophenyl)methyl)-1H-benzimidazol-2-yl)amino)-1-piperidinyl)butyl)-1H-imidazo(4,5-c)pyridin-2-amine, 1-[(4-fluorophenyl)methyl]-N-{1-[4-({1H-imidazo[4,5-c]pyridin-2-yl}amino)butyl]piperidin-4-yl}-1H-1,3-benzodiazol-2-amine, 2-[[4-[4-[[1-(4-Fluorobenzyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]amino]-1H-imidazo[4,5-c]pyridine
| Molecular Formula | C29H33FN8 |
|---|---|
| Molecular Weight | 512.28 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.28125 |
| Heavy Atoms | 38 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 99157-83-2 |
|---|---|
| SMILES | C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCCCNC5=NC6=C(N5)C=NC=C6 |
| InChIKey | MKQQEXJRGJOPMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
R 58639 (CAS 99157-83-2), with molecular formula C29H33FN8 and molecular weight 512.28 g/mol. IUPAC: N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-3H-imidazo[4,5-c]pyridin-2-amine.
Chemical Property Profile of R 58639
Property Insights of R 58639
The XLogP value of 5.3 indicates that R 58639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for R 58639. Following Lipinski's Rule of Five, R 58639 has 3 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 R 58639?
The CAS number of R 58639 is 99157-83-2.
What is the molecular formula of R 58639?
The molecular formula of R 58639 is C29H33FN8.
What is the molecular weight of R 58639?
The molecular weight of R 58639 is 512.28 g/mol.
Where can I buy R 58639?
You can request a quote for R 58639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R 58639?
Yes, KEHONG BIO provides custom synthesis services for R 58639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.