RefChem:387239
TL;DR: RefChem:387239 (CAS 34723-70-1) is a chemical compound with molecular formula C30H34BrN3NaO5S+ and molecular weight 650.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea
Also Known As: Urea, 1-(1-adamantyl)-3-((p-(2-(7-bromo-3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt, Sodium1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea, sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea, RefChem:387239
| Molecular Formula | C30H34BrN3NaO5S+ |
|---|---|
| Molecular Weight | 650.13 g/mol |
| LogP | 1.91 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 650.13 |
| Heavy Atoms | 41 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 34723-70-1 |
|---|---|
| SMILES | CC1(C2=C(C=C(C=C2)Br)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5)C.[Na+] |
| InChIKey | OMPDVPOHUHSOLX-UHFFFAOYSA-N |
Product Overview
RefChem:387239 (CAS 34723-70-1), with molecular formula C30H34BrN3NaO5S+ and molecular weight 650.13 g/mol. IUPAC: sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea.
Chemical Property Profile of RefChem:387239
Property Insights of RefChem:387239
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:387239. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387239. Following Lipinski's Rule of Five, RefChem:387239 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:387239?
The CAS number of RefChem:387239 is 34723-70-1.
What is the molecular formula of RefChem:387239?
The molecular formula of RefChem:387239 is C30H34BrN3NaO5S+.
What is the molecular weight of RefChem:387239?
The molecular weight of RefChem:387239 is 650.13 g/mol.
Where can I buy RefChem:387239?
You can request a quote for RefChem:387239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387239?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.