SMP-797 anhydrous free base
TL;DR: SMP-797 anhydrous free base (CAS 437763-85-4) is a chemical compound with molecular formula C34H43N5O4 and molecular weight 585.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea
Also Known As: SMP-797 anhydrous free base, compound 22b [PMID: 16242323], J3.043.669E, Urea, N-(4-amino-2,6-bis(1-methylethyl)phenyl)-N'-(1-butyl-1,2-dihydro-4-(3-(3-hydroxypropoxy)phenyl)-2-oxo-1,8-naphthyridin-3-yl)-, 1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea
| Molecular Formula | C34H43N5O4 |
|---|---|
| Molecular Weight | 585.33 g/mol |
| LogP | 7.0978 |
| Topological Polar Surface Area | 131.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 585.3315 |
| Heavy Atoms | 43 |
| Complexity | 1615.1498 |
Chemical Identifiers
| CAS Number | 437763-85-4 |
|---|---|
| SMILES | CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)N)C(C)C)C4=CC(=CC=C4)OCCCO |
Product Overview
SMP-797 anhydrous free base (CAS 437763-85-4), with molecular formula C34H43N5O4 and molecular weight 585.33 g/mol. IUPAC: 1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea.
Chemical Property Profile of SMP-797 anhydrous free base
Property Insights of SMP-797 anhydrous free base
The XLogP value of 7.0978 indicates that SMP-797 anhydrous free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.5 Ų falls within the moderate polarity range, balancing permeability and solubility for SMP-797 anhydrous free base. Following Lipinski's Rule of Five, SMP-797 anhydrous free base has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SMP-797 anhydrous free base?
The CAS number of SMP-797 anhydrous free base is 437763-85-4.
What is the molecular formula of SMP-797 anhydrous free base?
The molecular formula of SMP-797 anhydrous free base is C34H43N5O4.
What is the molecular weight of SMP-797 anhydrous free base?
The molecular weight of SMP-797 anhydrous free base is 585.33 g/mol.
Where can I buy SMP-797 anhydrous free base?
You can request a quote for SMP-797 anhydrous free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SMP-797 anhydrous free base?
Yes, KEHONG BIO provides custom synthesis services for SMP-797 anhydrous free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.