N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide (CAS 898627-71-9) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide, (1r,3s,5R,7S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(5-methyl-2H-tetrazol-2-yl)adamantane-1-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-(5-METHYL-2H-1,2,3,4-TETRAZOL-2-YL)ADAMANTANE-1-CARBOXAMIDE
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 2.32212 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 972.4462 |
Chemical Identifiers
| CAS Number | 898627-71-9 |
|---|---|
| SMILES | CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5=CC6=C(C=C5)OCO6 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide (CAS 898627-71-9), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide
The XLogP value of 2.32212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide 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 N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide is 898627-71-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide is C21H25N5O3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide is 395.20 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.