![N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide structure](/static/products/893/893774-59-9.png)
N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 893774-59-9) is a chemical compound with molecular formula C22H26ClNO2S and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide, A4123/0175805, 3-chloro-N-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)propyl]-1-benzothiophene-2-carboxamide, N-[2-(ADAMANTAN-1-YLOXY)PROPYL]-3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C22H26ClNO2S |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 5.6584 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.13727 |
| Heavy Atoms | 27 |
| Complexity | 841.03577 |
Chemical Identifiers
| CAS Number | 893774-59-9 |
|---|---|
| SMILES | CC(CNC(=O)C1=C(C2=CC=CC=C2S1)Cl)OC34CC5CC(C3)CC(C5)C4 |
Product Overview
N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 893774-59-9), with molecular formula C22H26ClNO2S and molecular weight 403.14 g/mol. IUPAC: N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 5.6584 indicates that N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide is 893774-59-9.
What is the molecular formula of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide is C22H26ClNO2S.
What is the molecular weight of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide is 403.14 g/mol.
Where can I buy N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.