12H-900
TL;DR: 12H-900 (CAS 306977-97-9) is a chemical compound with molecular formula C18H15ClF3N5OS and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetyl]amino]-3-methylthiourea
Also Known As: 12H-900, 2-(2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}acetyl)-N-methyl-1-hydrazinecarbothioamide, 1-[[2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]acetyl]amino]-3-methylthiourea, 2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-N-[(methylcarbamothioyl)amino]acetamide, 1-[[2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]acetyl]amino]-3-methyl-thiourea
| Molecular Formula | C18H15ClF3N5OS |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 3.3653 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.06378 |
| Heavy Atoms | 29 |
| Complexity | 1083.034 |
Chemical Identifiers
| CAS Number | 306977-97-9 |
|---|---|
| SMILES | CNC(=S)NNC(=O)CC1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
12H-900 (CAS 306977-97-9), with molecular formula C18H15ClF3N5OS and molecular weight 441.06 g/mol. IUPAC: 1-[[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetyl]amino]-3-methylthiourea.
Chemical Property Profile of 12H-900
Property Insights of 12H-900
The XLogP value of 3.3653 indicates that 12H-900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 12H-900. Following Lipinski's Rule of Five, 12H-900 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 12H-900?
The CAS number of 12H-900 is 306977-97-9.
What is the molecular formula of 12H-900?
The molecular formula of 12H-900 is C18H15ClF3N5OS.
What is the molecular weight of 12H-900?
The molecular weight of 12H-900 is 441.06 g/mol.
Where can I buy 12H-900?
You can request a quote for 12H-900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-900?
Yes, KEHONG BIO provides custom synthesis services for 12H-900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.