F1252-0600
TL;DR: F1252-0600 (CAS 539810-08-7) is a chemical compound with molecular formula C26H25ClN4OS and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-2-(phenoxymethyl)-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: F1252-0600, 6-(4-chlorophenyl)-2-(phenoxymethyl)-N-(prop-2-en-1-yl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide, N-allyl-1-(4-chlorophenyl)-4-(phenoxymethyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide, 6-(4-chlorophenyl)-2-(phenoxymethyl)-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
| Molecular Formula | C26H25ClN4OS |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 5.8226 |
| Topological Polar Surface Area | 43.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.14377 |
| Heavy Atoms | 33 |
| Complexity | 1308.069 |
Chemical Identifiers
| CAS Number | 539810-08-7 |
|---|---|
| SMILES | C=CCNC(=S)C1=C(C2=C3N1N=C(N3CCCC2)COC4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
F1252-0600 (CAS 539810-08-7), with molecular formula C26H25ClN4OS and molecular weight 476.14 g/mol. IUPAC: 6-(4-chlorophenyl)-2-(phenoxymethyl)-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of F1252-0600
Property Insights of F1252-0600
The XLogP value of 5.8226 indicates that F1252-0600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.49 Ų, F1252-0600 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1252-0600 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1252-0600?
The CAS number of F1252-0600 is 539810-08-7.
What is the molecular formula of F1252-0600?
The molecular formula of F1252-0600 is C26H25ClN4OS.
What is the molecular weight of F1252-0600?
The molecular weight of F1252-0600 is 476.14 g/mol.
Where can I buy F1252-0600?
You can request a quote for F1252-0600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1252-0600?
Yes, KEHONG BIO provides custom synthesis services for F1252-0600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.