NCI60_020880
TL;DR: NCI60_020880 (CAS 101932-22-3) is a chemical compound with molecular formula C9H11Cl2F4N3OS and molecular weight 354.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclopentylidene]amino]thiourea
Also Known As: NCI60_020880, Hydrazinecarbothioamide,2-[2-[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoro-1-hydroxyethyl]cyclopentylidene]-, [[2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclopentylidene]amino]thiourea, 2-(1,3-Dichloro-2-hydroxy-1,1,3,3-tetrafluoro-2-propyl)cyclopentanone thiosemicarbazone, Cyclopentanone, 2-(1,3-dichloro-2-hydroxy-1,1,3,3-tetrafluoro-2-propyl)-, thiosemicarbazone
| Molecular Formula | C9H11Cl2F4N3OS |
|---|---|
| Molecular Weight | 354.99 g/mol |
| LogP | 2.37 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.9936 |
| Heavy Atoms | 20 |
| Complexity | 410.39618 |
Chemical Identifiers
| CAS Number | 101932-22-3 |
|---|---|
| SMILES | C1CC(C(=NNC(=S)N)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O |
Product Overview
NCI60_020880 (CAS 101932-22-3), with molecular formula C9H11Cl2F4N3OS and molecular weight 354.99 g/mol. IUPAC: [[2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclopentylidene]amino]thiourea.
Chemical Property Profile of NCI60_020880
Property Insights of NCI60_020880
The XLogP value of 2.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_020880. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_020880. Following Lipinski's Rule of Five, NCI60_020880 has 3 hydrogen bond donor(s) and 3 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 NCI60_020880?
The CAS number of NCI60_020880 is 101932-22-3.
What is the molecular formula of NCI60_020880?
The molecular formula of NCI60_020880 is C9H11Cl2F4N3OS.
What is the molecular weight of NCI60_020880?
The molecular weight of NCI60_020880 is 354.99 g/mol.
Where can I buy NCI60_020880?
You can request a quote for NCI60_020880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020880?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.