Nnc-26-9100
TL;DR: Nnc-26-9100 (CAS 199522-35-5) is a chemical compound with molecular formula C22H25BrCl2N6S and molecular weight 554.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(5-bromo-2-pyridinyl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea
Also Known As: NNC 26-9100, ML156, NNC-26-9100, EX-A14581, BRD-K08438429-001-01-0
| Molecular Formula | C22H25BrCl2N6S |
|---|---|
| Molecular Weight | 554.04 g/mol |
| LogP | 5.3676 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 554.0422 |
| Heavy Atoms | 32 |
| Complexity | 984.59595 |
Chemical Identifiers
| CAS Number | 199522-35-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN(CCCNC(=S)NCCCC2=CN=CN2)C3=NC=C(C=C3)Br)Cl)Cl |
Product Overview
Nnc-26-9100 (CAS 199522-35-5), with molecular formula C22H25BrCl2N6S and molecular weight 554.04 g/mol. IUPAC: 1-[3-[(5-bromo-2-pyridinyl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea.
Chemical Property Profile of Nnc-26-9100
Property Insights of Nnc-26-9100
The XLogP value of 5.3676 indicates that Nnc-26-9100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Nnc-26-9100. Following Lipinski's Rule of Five, Nnc-26-9100 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nnc-26-9100?
The CAS number of Nnc-26-9100 is 199522-35-5.
What is the molecular formula of Nnc-26-9100?
The molecular formula of Nnc-26-9100 is C22H25BrCl2N6S.
What is the molecular weight of Nnc-26-9100?
The molecular weight of Nnc-26-9100 is 554.04 g/mol.
Where can I buy Nnc-26-9100?
You can request a quote for Nnc-26-9100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nnc-26-9100?
Yes, KEHONG BIO provides custom synthesis services for Nnc-26-9100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.