![cyclopropylmethyl-methyl-nitro-[?]thione structure](/static/products/2578/257891-79-5.webp)
cyclopropylmethyl-methyl-nitro-[?]thione
TL;DR: cyclopropylmethyl-methyl-nitro-[?]thione (CAS 257891-79-5) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(cyclopropylmethyl)-11-methyl-6-nitro-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: cyclopropylmethyl-methyl-nitro-[?]thione, Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-nitro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 6-(Cyclopropylmethyl)-5-methyl-9-nitro-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol, Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 9-nitro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-9-nitro-
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 3.22119 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 820.7922 |
Chemical Identifiers
| CAS Number | 257891-79-5 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC4CC4)C=C(C=C3NC2=S)[N+](=O)[O-] |
Product Overview
cyclopropylmethyl-methyl-nitro-[?]thione (CAS 257891-79-5), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: 10-(cyclopropylmethyl)-11-methyl-6-nitro-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione.
Chemical Property Profile of cyclopropylmethyl-methyl-nitro-[?]thione
Property Insights of cyclopropylmethyl-methyl-nitro-[?]thione
The XLogP value of 3.22119 indicates that cyclopropylmethyl-methyl-nitro-[?]thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclopropylmethyl-methyl-nitro-[?]thione. Following Lipinski's Rule of Five, cyclopropylmethyl-methyl-nitro-[?]thione has 1 hydrogen bond donor(s) and 4 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 cyclopropylmethyl-methyl-nitro-[?]thione?
The CAS number of cyclopropylmethyl-methyl-nitro-[?]thione is 257891-79-5.
What is the molecular formula of cyclopropylmethyl-methyl-nitro-[?]thione?
The molecular formula of cyclopropylmethyl-methyl-nitro-[?]thione is C15H18N4O2S.
What is the molecular weight of cyclopropylmethyl-methyl-nitro-[?]thione?
The molecular weight of cyclopropylmethyl-methyl-nitro-[?]thione is 318.12 g/mol.
Where can I buy cyclopropylmethyl-methyl-nitro-[?]thione?
You can request a quote for cyclopropylmethyl-methyl-nitro-[?]thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclopropylmethyl-methyl-nitro-[?]thione?
Yes, KEHONG BIO provides custom synthesis services for cyclopropylmethyl-methyl-nitro-[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.