![1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea structure](/static/products/317/317844-87-4.png)
1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea
TL;DR: 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea (CAS 317844-87-4) is a chemical compound with molecular formula C21H35N3O2S2 and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea
Also Known As: 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea, 2-(2-(3-(butylthio)-2-hydroxypropyl)-5-methylhexanoyl)-N-phenylhydrazinecarbothioamide, 2-{2-[3-(butylsulfanyl)-2-hydroxypropyl]-5-methylhexanoyl}-N-phenylhydrazinecarbothioamide (non-preferred name)
| Molecular Formula | C21H35N3O2S2 |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 4.3409 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 425.21707 |
| Heavy Atoms | 28 |
| Complexity | 570.02893 |
Chemical Identifiers
| CAS Number | 317844-87-4 |
|---|---|
| SMILES | CCCCSCC(CC(CCC(C)C)C(=O)NNC(=S)NC1=CC=CC=C1)O |
Product Overview
1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea (CAS 317844-87-4), with molecular formula C21H35N3O2S2 and molecular weight 425.22 g/mol. IUPAC: 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea.
Chemical Property Profile of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea
Property Insights of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea
The XLogP value of 4.3409 indicates that 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea has 4 hydrogen bond donor(s) and 4 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-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea?
The CAS number of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea is 317844-87-4.
What is the molecular formula of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea?
The molecular formula of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea is C21H35N3O2S2.
What is the molecular weight of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea?
The molecular weight of 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea is 425.22 g/mol.
Where can I buy 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea?
You can request a quote for 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-(3-butylsulfanyl-2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.