C16H18N4O2S
TL;DR: C16H18N4O2S (CAS 862675-68-1) is a chemical compound with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: (E)-methyl 3-(3-((2-carbamothioylhydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 3-{3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.04784 |
| Topological Polar Surface Area | 81.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 780.38257 |
Chemical Identifiers
| CAS Number | 862675-68-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)/C=N/NC(=S)N |
Product Overview
C16H18N4O2S (CAS 862675-68-1), with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol. IUPAC: methyl 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of C16H18N4O2S
Property Insights of C16H18N4O2S
The XLogP value of 2.04784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H18N4O2S. The TPSA of 81.64 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H18N4O2S. Following Lipinski's Rule of Five, C16H18N4O2S has 2 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 C16H18N4O2S?
The CAS number of C16H18N4O2S is 862675-68-1.
What is the molecular formula of C16H18N4O2S?
The molecular formula of C16H18N4O2S is C16H18N4O2S.
What is the molecular weight of C16H18N4O2S?
The molecular weight of C16H18N4O2S is 330.12 g/mol.
Where can I buy C16H18N4O2S?
You can request a quote for C16H18N4O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H18N4O2S?
Yes, KEHONG BIO provides custom synthesis services for C16H18N4O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.