![N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide structure](/static/products/858/858740-59-7.png)
N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
TL;DR: N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide (CAS 858740-59-7) is a chemical compound with molecular formula C19H19N3S and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide
Also Known As: N-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide, N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide, N-benzyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamide
| Molecular Formula | C19H19N3S |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 3.6007 |
| Topological Polar Surface Area | 31.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.12997 |
| Heavy Atoms | 23 |
| Complexity | 838.20184 |
Chemical Identifiers
| CAS Number | 858740-59-7 |
|---|---|
| SMILES | C1CN(CC2=C1NC3=CC=CC=C23)C(=S)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide (CAS 858740-59-7), with molecular formula C19H19N3S and molecular weight 321.13 g/mol. IUPAC: N-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide.
Chemical Property Profile of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
Property Insights of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
The XLogP value of 3.6007 indicates that N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.06 Ų, N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide has 2 hydrogen bond donor(s) and 1 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 N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
The CAS number of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is 858740-59-7.
What is the molecular formula of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
The molecular formula of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is C19H19N3S.
What is the molecular weight of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
The molecular weight of N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is 321.13 g/mol.
Where can I buy N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
You can request a quote for N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.