Pyrrolecarbothioanilide deriv.
TL;DR: Pyrrolecarbothioanilide deriv. (CAS 178870-30-9) is a chemical compound with molecular formula C17H20ClN3OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1-methylpyrrole-2-carbothioamide
Also Known As: Pyrrolecarbothioanilide deriv., 1H-Pyrrole-2-carbothioamide, N-(4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-1-methyl-, N-[3-[(E)-tert-butoxyiminomethyl]-4-chloro-phenyl]-1-methyl-pyrrole-2-carbothioamide, 1H-Pyrrole-2-carbothioamide, N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-1-methyl-
| Molecular Formula | C17H20ClN3OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 4.6151 |
| Topological Polar Surface Area | 38.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10156 |
| Heavy Atoms | 23 |
| Complexity | 731.68 |
Chemical Identifiers
| CAS Number | 178870-30-9 |
|---|---|
| SMILES | CC(C)(C)O/N=C/C1=C(C=CC(=C1)NC(=S)C2=CC=CN2C)Cl |
Product Overview
Pyrrolecarbothioanilide deriv. (CAS 178870-30-9), with molecular formula C17H20ClN3OS and molecular weight 349.10 g/mol. IUPAC: N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-1-methylpyrrole-2-carbothioamide.
Chemical Property Profile of Pyrrolecarbothioanilide deriv.
Property Insights of Pyrrolecarbothioanilide deriv.
The XLogP value of 4.6151 indicates that Pyrrolecarbothioanilide deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.55 Ų, Pyrrolecarbothioanilide deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolecarbothioanilide deriv. has 1 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 Pyrrolecarbothioanilide deriv.?
The CAS number of Pyrrolecarbothioanilide deriv. is 178870-30-9.
What is the molecular formula of Pyrrolecarbothioanilide deriv.?
The molecular formula of Pyrrolecarbothioanilide deriv. is C17H20ClN3OS.
What is the molecular weight of Pyrrolecarbothioanilide deriv.?
The molecular weight of Pyrrolecarbothioanilide deriv. is 349.10 g/mol.
Where can I buy Pyrrolecarbothioanilide deriv.?
You can request a quote for Pyrrolecarbothioanilide deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolecarbothioanilide deriv.?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolecarbothioanilide deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.