4-Undecyl semicarbazide
TL;DR: 4-Undecyl semicarbazide (CAS 80894-36-6) is a chemical compound with molecular formula C12H27N3O and molecular weight 229.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-undecylurea
Also Known As: 1-amino-3-undecylurea, 4-undecyl semicarbazide, N-Undecylhydrazinecarboxamide, Hydrazinecarboxamide,N-undecyl-
| Molecular Formula | C12H27N3O |
|---|---|
| Molecular Weight | 229.22 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 229.21541 |
| Heavy Atoms | 16 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 80894-36-6 |
|---|---|
| SMILES | CCCCCCCCCCCNC(=O)NN |
| InChIKey | BWTXPAORTCJACE-UHFFFAOYSA-N |
Product Overview
4-Undecyl semicarbazide (CAS 80894-36-6), with molecular formula C12H27N3O and molecular weight 229.22 g/mol. IUPAC: 1-amino-3-undecylurea.
Chemical Property Profile of 4-Undecyl semicarbazide
Property Insights of 4-Undecyl semicarbazide
The XLogP value of 3.2 indicates that 4-Undecyl semicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Undecyl semicarbazide. Following Lipinski's Rule of Five, 4-Undecyl semicarbazide 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 4-Undecyl semicarbazide?
The CAS number of 4-Undecyl semicarbazide is 80894-36-6.
What is the molecular formula of 4-Undecyl semicarbazide?
The molecular formula of 4-Undecyl semicarbazide is C12H27N3O.
What is the molecular weight of 4-Undecyl semicarbazide?
The molecular weight of 4-Undecyl semicarbazide is 229.22 g/mol.
Where can I buy 4-Undecyl semicarbazide?
You can request a quote for 4-Undecyl semicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Undecyl semicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Undecyl semicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.