3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride
TL;DR: 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride (CAS 84671-53-4) is a chemical compound with molecular formula C21H22ClN3O2S2 and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(8-methoxy-1-methyl-5-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-3-carboxamide;hydrochloride
Also Known As: 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride, N-[(8-methoxy-1-methyl-5-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-3-carboxamide hydrochloride, N-{[8-Methoxy-1-methyl-5-(thiophen-3-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}thiophene-3-carboximidic acid--hydrogen chloride (1/1), RefChem:282753
| Molecular Formula | C21H22ClN3O2S2 |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 4.3258 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.0842 |
| Heavy Atoms | 29 |
| Complexity | 987.54205 |
Chemical Identifiers
| CAS Number | 84671-53-4 |
|---|---|
| SMILES | CN1C(CN=C(C2=C1C=C(C=C2)OC)C3=CSC=C3)CNC(=O)C4=CSC=C4.Cl |
Product Overview
3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride (CAS 84671-53-4), with molecular formula C21H22ClN3O2S2 and molecular weight 447.08 g/mol. IUPAC: N-[(8-methoxy-1-methyl-5-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-3-carboxamide;hydrochloride.
Chemical Property Profile of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride
Property Insights of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride
The XLogP value of 4.3258 indicates that 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 6 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 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride?
The CAS number of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is 84671-53-4.
What is the molecular formula of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride?
The molecular formula of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is C21H22ClN3O2S2.
What is the molecular weight of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride?
The molecular weight of 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is 447.08 g/mol.
Where can I buy 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride?
You can request a quote for 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxamide, N-((2,3-dihydro-8-methoxy-1-methyl-5-(3-thienyl)-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.