3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide
TL;DR: 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide (CAS 445023-71-2) is a chemical compound with molecular formula C16H23ClN4O and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-1,2,4-triazol-1-yl)-N-propan-2-yladamantane-1-carboxamide
Also Known As: 3-(3-chloro-1,2,4-triazol-1-yl)-N-propan-2-yladamantane-1-carboxamide, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide, 3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-ISOPROPYL-1-ADAMANTANECARBOXAMIDE, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(propan-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C16H23ClN4O |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 2.7516 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.15604 |
| Heavy Atoms | 22 |
| Complexity | 597.04193 |
Chemical Identifiers
| CAS Number | 445023-71-2 |
|---|---|
| SMILES | CC(C)NC(=O)C12CC3CC(C1)CC(C3)(C2)N4C=NC(=N4)Cl |
Product Overview
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide (CAS 445023-71-2), with molecular formula C16H23ClN4O and molecular weight 322.16 g/mol. IUPAC: 3-(3-chloro-1,2,4-triazol-1-yl)-N-propan-2-yladamantane-1-carboxamide.
Chemical Property Profile of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide
Property Insights of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide
The XLogP value of 2.7516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide. With a topological polar surface area (TPSA) of 59.81 Ų, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide has 1 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 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide?
The CAS number of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide is 445023-71-2.
What is the molecular formula of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide?
The molecular formula of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide is C16H23ClN4O.
What is the molecular weight of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide?
The molecular weight of 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide is 322.16 g/mol.
Where can I buy 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide?
You can request a quote for 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-isopropyladamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.