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N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide
TL;DR: N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide (CAS 331950-22-2) is a chemical compound with molecular formula C29H29NOS2 and molecular weight 471.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide
Also Known As: N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide, adamantanyl-N-(3,5-diphenylthiophenyl)carboxamide, N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide, N-[3,5-bis(phenylsulfanyl)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C29H29NOS2 |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 8.1439 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.16907 |
| Heavy Atoms | 33 |
| Complexity | 1049.7639 |
Chemical Identifiers
| CAS Number | 331950-22-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=C5)SC6=CC=CC=C6 |
Product Overview
N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide (CAS 331950-22-2), with molecular formula C29H29NOS2 and molecular weight 471.17 g/mol. IUPAC: N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide.
Chemical Property Profile of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide
Property Insights of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide
The XLogP value of 8.1439 indicates that N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide 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-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide?
The CAS number of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide is 331950-22-2.
What is the molecular formula of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide?
The molecular formula of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide is C29H29NOS2.
What is the molecular weight of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide?
The molecular weight of N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide is 471.17 g/mol.
Where can I buy N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide?
You can request a quote for N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-bis(phenylsulfanyl)phenyl]-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.