RefChem:265653
TL;DR: RefChem:265653 (CAS 86717-13-7) is a chemical compound with molecular formula C17H18N6OS3 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1,3-thiazol-2-ylamino)propan-2-ol
Also Known As: 1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(2-thiazolylamino)-2-propanol, 7-Chloro-8-fluoro-2-phenylquinolin-4(1H)-one, 2-Propanol, 1-((5-((2-indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(2-thiazolylamino)-, 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1,3-thiazol-2-ylamino)propan-2-ol, 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfa
| Molecular Formula | C17H18N6OS3 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 3.6531 |
| Topological Polar Surface Area | 98.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.07043 |
| Heavy Atoms | 27 |
| Complexity | 983.57196 |
Chemical Identifiers
| CAS Number | 86717-13-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CNC3=NN=C(S3)SCC(CNC4=NC=CS4)O |
Product Overview
RefChem:265653 (CAS 86717-13-7), with molecular formula C17H18N6OS3 and molecular weight 418.07 g/mol. IUPAC: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1,3-thiazol-2-ylamino)propan-2-ol.
Chemical Property Profile of RefChem:265653
Property Insights of RefChem:265653
The XLogP value of 3.6531 indicates that RefChem:265653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:265653. Following Lipinski's Rule of Five, RefChem:265653 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:265653?
The CAS number of RefChem:265653 is 86717-13-7.
What is the molecular formula of RefChem:265653?
The molecular formula of RefChem:265653 is C17H18N6OS3.
What is the molecular weight of RefChem:265653?
The molecular weight of RefChem:265653 is 418.07 g/mol.
Where can I buy RefChem:265653?
You can request a quote for RefChem:265653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:265653?
Yes, KEHONG BIO provides custom synthesis services for RefChem:265653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.