2-Semicarbazono-1-chloropropane
TL;DR: 2-Semicarbazono-1-chloropropane (CAS 53646-01-8) is a chemical compound with molecular formula C4H8ClN3O and molecular weight 149.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloropropan-2-ylideneamino)urea
Also Known As: 1-Chloro-2-propanone semicarbazone, 2-semicarbazono-1-chloropropane, 2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide, 2-Propanone, 1-chloro-, semicarbazone, 4-03-00-00179 (Beilstein Handbook Reference)
| Molecular Formula | C4H8ClN3O |
|---|---|
| Molecular Weight | 149.04 g/mol |
| LogP | 0.2694 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.03558 |
| Heavy Atoms | 9 |
| Complexity | 133.77444 |
Chemical Identifiers
| CAS Number | 53646-01-8 |
|---|---|
| SMILES | CC(=NNC(=O)N)CCl |
Product Overview
2-Semicarbazono-1-chloropropane (CAS 53646-01-8), with molecular formula C4H8ClN3O and molecular weight 149.04 g/mol. IUPAC: (1-chloropropan-2-ylideneamino)urea.
Chemical Property Profile of 2-Semicarbazono-1-chloropropane
Property Insights of 2-Semicarbazono-1-chloropropane
The XLogP value of 0.2694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Semicarbazono-1-chloropropane. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Semicarbazono-1-chloropropane. Following Lipinski's Rule of Five, 2-Semicarbazono-1-chloropropane has 2 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 2-Semicarbazono-1-chloropropane?
The CAS number of 2-Semicarbazono-1-chloropropane is 53646-01-8.
What is the molecular formula of 2-Semicarbazono-1-chloropropane?
The molecular formula of 2-Semicarbazono-1-chloropropane is C4H8ClN3O.
What is the molecular weight of 2-Semicarbazono-1-chloropropane?
The molecular weight of 2-Semicarbazono-1-chloropropane is 149.04 g/mol.
Where can I buy 2-Semicarbazono-1-chloropropane?
You can request a quote for 2-Semicarbazono-1-chloropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Semicarbazono-1-chloropropane?
Yes, KEHONG BIO provides custom synthesis services for 2-Semicarbazono-1-chloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.