RefChem:476395
TL;DR: RefChem:476395 (CAS 5084-13-9) is a chemical compound with molecular formula C38H45N5O3S and molecular weight 651.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
Also Known As: 2-Naphthalenecarboxamide, 1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-[2-(tetradecyloxy)phenyl]-, 1-hydroxy-4- -2'-tetradecyloxy-2-naphthanilide, 1-Hydroxy-4-(1-phenyl-1H-tetrazol-5-ylthio)-2'-tetradecyloxy-2-naphthanilide, 1-hydroxy-4-[(1-phenyl-1h-tetrazol-5-yl)sulfanyl]-n-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide, 1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
| Molecular Formula | C38H45N5O3S |
|---|---|
| Molecular Weight | 651.32 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 651.32434 |
| Heavy Atoms | 47 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 5084-13-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O |
| InChIKey | RQJVRTHWJHBYOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:476395 (CAS 5084-13-9), with molecular formula C38H45N5O3S and molecular weight 651.32 g/mol. IUPAC: 1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide.
Chemical Property Profile of RefChem:476395
Property Insights of RefChem:476395
The XLogP value of 12.5 indicates that RefChem:476395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:476395. Following Lipinski's Rule of Five, RefChem:476395 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:476395?
The CAS number of RefChem:476395 is 5084-13-9.
What is the molecular formula of RefChem:476395?
The molecular formula of RefChem:476395 is C38H45N5O3S.
What is the molecular weight of RefChem:476395?
The molecular weight of RefChem:476395 is 651.32 g/mol.
Where can I buy RefChem:476395?
You can request a quote for RefChem:476395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476395?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.