![1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea structure](/static/products/1346/13468-96-7.webp)
1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea
TL;DR: 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea (CAS 13468-96-7) is a chemical compound with molecular formula C20H26N4S2 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[6-(phenylcarbamothioylamino)hexyl]thiourea
Also Known As: UPCMLD0ENAT0506-5414:001, 1,1 -Hexamethylenebis(3-phenylthiourea), J2.335.254K, 1-phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea, 1,1'-hexane-1,6-diylbis[3-phenyl(thiourea)]
| Molecular Formula | C20H26N4S2 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 4.52 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.15988 |
| Heavy Atoms | 26 |
| Complexity | 602.5261 |
Chemical Identifiers
| CAS Number | 13468-96-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCCCCCNC(=S)NC2=CC=CC=C2 |
Product Overview
1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea (CAS 13468-96-7), with molecular formula C20H26N4S2 and molecular weight 386.16 g/mol. IUPAC: 1-phenyl-3-[6-(phenylcarbamothioylamino)hexyl]thiourea.
Chemical Property Profile of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea
Property Insights of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea
The XLogP value of 4.52 indicates that 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.12 Ų, 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea has 4 hydrogen bond donor(s) and 2 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 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea?
The CAS number of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea is 13468-96-7.
What is the molecular formula of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea?
The molecular formula of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea is C20H26N4S2.
What is the molecular weight of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea?
The molecular weight of 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea is 386.16 g/mol.
Where can I buy 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea?
You can request a quote for 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-{6-[(phenylcarbamothioyl)amino]hexyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.