1-Adamantylcarbamothioylurea
TL;DR: 1-Adamantylcarbamothioylurea (CAS 70889-39-3) is a chemical compound with molecular formula C12H19N3OS and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantylcarbamothioylurea
Also Known As: 1-adamantylcarbamothioylurea, Urea, N-[thioxo(tricyclo[3.3.1.13,7]dec-1-ylamino)methyl]-, Imidothiodicarbonic diamide, N-tricyclo[3.3.1.1~3,7~]dec-1-yl-
| Molecular Formula | C12H19N3OS |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 1.498 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.12488 |
| Heavy Atoms | 17 |
| Complexity | 333.47803 |
Chemical Identifiers
| CAS Number | 70889-39-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)N |
Product Overview
1-Adamantylcarbamothioylurea (CAS 70889-39-3), with molecular formula C12H19N3OS and molecular weight 253.12 g/mol. IUPAC: 1-adamantylcarbamothioylurea.
Chemical Property Profile of 1-Adamantylcarbamothioylurea
Property Insights of 1-Adamantylcarbamothioylurea
The XLogP value of 1.498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Adamantylcarbamothioylurea. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Adamantylcarbamothioylurea. Following Lipinski's Rule of Five, 1-Adamantylcarbamothioylurea has 3 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-Adamantylcarbamothioylurea?
The CAS number of 1-Adamantylcarbamothioylurea is 70889-39-3.
What is the molecular formula of 1-Adamantylcarbamothioylurea?
The molecular formula of 1-Adamantylcarbamothioylurea is C12H19N3OS.
What is the molecular weight of 1-Adamantylcarbamothioylurea?
The molecular weight of 1-Adamantylcarbamothioylurea is 253.12 g/mol.
Where can I buy 1-Adamantylcarbamothioylurea?
You can request a quote for 1-Adamantylcarbamothioylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantylcarbamothioylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantylcarbamothioylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.