CTK8H4951
TL;DR: CTK8H4951 (CAS 20091-92-3) is a chemical compound with molecular formula C11H13N3O4S2 and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[2-(methoxymethyl)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamodithioate
Also Known As: 3-[2-(methoxymethyl)-3-(5-nitro-2-furyl)allylidene]dithiocarbazic acid methyl ester
| Molecular Formula | C11H13N3O4S2 |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 2.4409 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.03476 |
| Heavy Atoms | 20 |
| Complexity | 539.52545 |
Chemical Identifiers
| CAS Number | 20091-92-3 |
|---|---|
| SMILES | COCC(=CC1=CC=C(O1)[N+](=O)[O-])C=NNC(=S)SC |
Product Overview
CTK8H4951 (CAS 20091-92-3), with molecular formula C11H13N3O4S2 and molecular weight 315.03 g/mol. IUPAC: methyl N-[[2-(methoxymethyl)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamodithioate.
Chemical Property Profile of CTK8H4951
Property Insights of CTK8H4951
The XLogP value of 2.4409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK8H4951. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8H4951. Following Lipinski's Rule of Five, CTK8H4951 has 1 hydrogen bond donor(s) and 7 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 CTK8H4951?
The CAS number of CTK8H4951 is 20091-92-3.
What is the molecular formula of CTK8H4951?
The molecular formula of CTK8H4951 is C11H13N3O4S2.
What is the molecular weight of CTK8H4951?
The molecular weight of CTK8H4951 is 315.03 g/mol.
Where can I buy CTK8H4951?
You can request a quote for CTK8H4951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8H4951?
Yes, KEHONG BIO provides custom synthesis services for CTK8H4951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.