![METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE structure](/static/products/4450/445015-75-8.webp)
METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE
TL;DR: METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE (CAS 445015-75-8) is a chemical compound with molecular formula C23H27ClN4O5 and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate
Also Known As: METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE, methyl 2-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)-4,5-dimethoxybenzoate, methyl 2-(3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamido)-4,5-dimethoxybenzoate, methyl 2-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C23H27ClN4O5 |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 3.6695 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.167 |
| Heavy Atoms | 33 |
| Complexity | 1102.2665 |
Chemical Identifiers
| CAS Number | 445015-75-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)OC |
Product Overview
METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE (CAS 445015-75-8), with molecular formula C23H27ClN4O5 and molecular weight 474.17 g/mol. IUPAC: methyl 2-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE
Property Insights of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE
The XLogP value of 3.6695 indicates that METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE. Following Lipinski's Rule of Five, METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE has 1 hydrogen bond donor(s) and 7 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 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE?
The CAS number of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE is 445015-75-8.
What is the molecular formula of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE?
The molecular formula of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE is C23H27ClN4O5.
What is the molecular weight of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE?
The molecular weight of METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE is 474.17 g/mol.
Where can I buy METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE?
You can request a quote for METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.