Sodium,tetrahydrate
TL;DR: Sodium,tetrahydrate (CAS 148787-32-0) is a chemical compound with molecular formula C18H17N3O2S2 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-methoxybenzamide
Also Known As: Sodium,tetrahydrate, BAS 00435284, N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-methoxybenzamide, N-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)-4-methoxybenzamide
| Molecular Formula | C18H17N3O2S2 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 3.63398 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.07623 |
| Heavy Atoms | 25 |
| Complexity | 850.4415 |
Chemical Identifiers
| CAS Number | 148787-32-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
Sodium,tetrahydrate (CAS 148787-32-0), with molecular formula C18H17N3O2S2 and molecular weight 371.08 g/mol. IUPAC: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of Sodium,tetrahydrate
Property Insights of Sodium,tetrahydrate
The XLogP value of 3.63398 indicates that Sodium,tetrahydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium,tetrahydrate. Following Lipinski's Rule of Five, Sodium,tetrahydrate has 2 hydrogen bond donor(s) and 5 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 Sodium,tetrahydrate?
The CAS number of Sodium,tetrahydrate is 148787-32-0.
What is the molecular formula of Sodium,tetrahydrate?
The molecular formula of Sodium,tetrahydrate is C18H17N3O2S2.
What is the molecular weight of Sodium,tetrahydrate?
The molecular weight of Sodium,tetrahydrate is 371.08 g/mol.
Where can I buy Sodium,tetrahydrate?
You can request a quote for Sodium,tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium,tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for Sodium,tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.