![methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate structure](/static/products/7142/714209-67-3.webp)
methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate
TL;DR: methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate (CAS 714209-67-3) is a chemical compound with molecular formula C23H25N3O2S and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)amino]benzoate
Also Known As: methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate, methyl 4-(1-isopropyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carbothioamido)benzoate, METHYL 4-{1-ISOPROPYL-1H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-2-CARBOTHIOYLAMINO}BENZOATE, methyl 4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)amino]benzoate
| Molecular Formula | C23H25N3O2S |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 4.9067 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.16675 |
| Heavy Atoms | 29 |
| Complexity | 1055.6752 |
Chemical Identifiers
| CAS Number | 714209-67-3 |
|---|---|
| SMILES | CC(C)C1C2=C(CCN1C(=S)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4N2 |
Product Overview
methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate (CAS 714209-67-3), with molecular formula C23H25N3O2S and molecular weight 407.17 g/mol. IUPAC: methyl 4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)amino]benzoate.
Chemical Property Profile of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate
Property Insights of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate
The XLogP value of 4.9067 indicates that methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.36 Ų, methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate has 2 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 methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate?
The CAS number of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate is 714209-67-3.
What is the molecular formula of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate?
The molecular formula of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate is C23H25N3O2S.
What is the molecular weight of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate?
The molecular weight of methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate is 407.17 g/mol.
Where can I buy methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate?
You can request a quote for methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[1-(propan-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.