3,7-Diamino-1-chloroheptan-2-one
TL;DR: 3,7-Diamino-1-chloroheptan-2-one (CAS 26995-96-0) is a chemical compound with molecular formula C7H15ClN2O and molecular weight 178.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-diamino-1-chloroheptan-2-one
Also Known As: 3,7-diamino-1-chloroheptan-2-one, Lysine chloromethyl ketone, 2-Heptanone, 3,7-diamino-1-chloro-, 2-Heptanone,3,7-diamino-1-chloro
| Molecular Formula | C7H15ClN2O |
|---|---|
| Molecular Weight | 178.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.0873 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 26995-96-0 |
|---|---|
| SMILES | C(CCN)CC(C(=O)CCl)N |
| InChIKey | PDBIHKPGRQQIEC-UHFFFAOYSA-N |
Product Overview
3,7-Diamino-1-chloroheptan-2-one (CAS 26995-96-0), with molecular formula C7H15ClN2O and molecular weight 178.09 g/mol. IUPAC: 3,7-diamino-1-chloroheptan-2-one.
Chemical Property Profile of 3,7-Diamino-1-chloroheptan-2-one
Property Insights of 3,7-Diamino-1-chloroheptan-2-one
The XLogP value of -0.2 indicates that 3,7-Diamino-1-chloroheptan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diamino-1-chloroheptan-2-one. Following Lipinski's Rule of Five, 3,7-Diamino-1-chloroheptan-2-one has 2 hydrogen bond donor(s) and 3 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 3,7-Diamino-1-chloroheptan-2-one?
The CAS number of 3,7-Diamino-1-chloroheptan-2-one is 26995-96-0.
What is the molecular formula of 3,7-Diamino-1-chloroheptan-2-one?
The molecular formula of 3,7-Diamino-1-chloroheptan-2-one is C7H15ClN2O.
What is the molecular weight of 3,7-Diamino-1-chloroheptan-2-one?
The molecular weight of 3,7-Diamino-1-chloroheptan-2-one is 178.09 g/mol.
Where can I buy 3,7-Diamino-1-chloroheptan-2-one?
You can request a quote for 3,7-Diamino-1-chloroheptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diamino-1-chloroheptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diamino-1-chloroheptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.