![N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide structure](/static/products/858/858743-01-8.png)
N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
TL;DR: N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide (CAS 858743-01-8) is a chemical compound with molecular formula C13H15N3S and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide
Also Known As: N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide, N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide, N-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamide
| Molecular Formula | C13H15N3S |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 2.0303 |
| Topological Polar Surface Area | 31.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.09866 |
| Heavy Atoms | 17 |
| Complexity | 573.0483 |
Chemical Identifiers
| CAS Number | 858743-01-8 |
|---|---|
| SMILES | CNC(=S)N1CCC2=C(C1)C3=CC=CC=C3N2 |
Product Overview
N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide (CAS 858743-01-8), with molecular formula C13H15N3S and molecular weight 245.10 g/mol. IUPAC: N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide.
Chemical Property Profile of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
Property Insights of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
The XLogP value of 2.0303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide. With a topological polar surface area (TPSA) of 31.06 Ų, N-methyl-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-methyl-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-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
The CAS number of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is 858743-01-8.
What is the molecular formula of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
The molecular formula of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is C13H15N3S.
What is the molecular weight of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
The molecular weight of N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide is 245.10 g/mol.
Where can I buy N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
You can request a quote for N-methyl-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-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-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.