4,9-Diaminodiamantane
TL;DR: 4,9-Diaminodiamantane (CAS 55981-62-9) is a chemical compound with molecular formula C14H22N2 and molecular weight 218.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diamine
Also Known As: 4,9-Diaminodiamantane, NCI60_038000, AZ0001-0545, pentacyclo[7.3.1.1^{4,12}.0^{2,7}.0^{6,11}]tetradecane-4,9-diamine, Decahydro-3,5,1,7-[1,2,3,4]butanetetrylnaphthalene-3,7-diamine
| Molecular Formula | C14H22N2 |
|---|---|
| Molecular Weight | 218.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.1783 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 55981-62-9 |
|---|---|
| SMILES | C1C2C3CC4(CC2C5CC1(CC3C5C4)N)N |
| InChIKey | OQFGCBHYTPVGEY-UHFFFAOYSA-N |
Product Overview
4,9-Diaminodiamantane (CAS 55981-62-9), with molecular formula C14H22N2 and molecular weight 218.18 g/mol. IUPAC: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diamine.
Chemical Property Profile of 4,9-Diaminodiamantane
Property Insights of 4,9-Diaminodiamantane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,9-Diaminodiamantane. With a topological polar surface area (TPSA) of 52.0 Ų, 4,9-Diaminodiamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,9-Diaminodiamantane 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 4,9-Diaminodiamantane?
The CAS number of 4,9-Diaminodiamantane is 55981-62-9.
What is the molecular formula of 4,9-Diaminodiamantane?
The molecular formula of 4,9-Diaminodiamantane is C14H22N2.
What is the molecular weight of 4,9-Diaminodiamantane?
The molecular weight of 4,9-Diaminodiamantane is 218.18 g/mol.
Where can I buy 4,9-Diaminodiamantane?
You can request a quote for 4,9-Diaminodiamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,9-Diaminodiamantane?
Yes, KEHONG BIO provides custom synthesis services for 4,9-Diaminodiamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.