Pentalene, 1,3-bis(dimethylamino)-
TL;DR: Pentalene, 1,3-bis(dimethylamino)- (CAS 14749-76-9) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,1-N,3-N,3-N-tetramethylpentalene-1,3-diamine
Also Known As: Pentalene, 1,3-bis(dimethylamino)-, 1,3-bis(dimethylamino)pentalene, RQPLYYIIVPBZEI-UHFFFAOYSA-, 1-N,1-N,3-N,3-N-tetramethylpentalene-1,3-diamine, N~1~,N~1~,N~3~,N~3~-Tetramethylpentalene-1,3-diamine
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 14749-76-9 |
|---|---|
| SMILES | CN(C)C1=CC(=C2C1=CC=C2)N(C)C |
| InChIKey | RQPLYYIIVPBZEI-UHFFFAOYSA-N |
Product Overview
Pentalene, 1,3-bis(dimethylamino)- (CAS 14749-76-9), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 1-N,1-N,3-N,3-N-tetramethylpentalene-1,3-diamine.
Chemical Property Profile of Pentalene, 1,3-bis(dimethylamino)-
Property Insights of Pentalene, 1,3-bis(dimethylamino)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentalene, 1,3-bis(dimethylamino)-. With a topological polar surface area (TPSA) of 6.5 Ų, Pentalene, 1,3-bis(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentalene, 1,3-bis(dimethylamino)- has 0 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 Pentalene, 1,3-bis(dimethylamino)-?
The CAS number of Pentalene, 1,3-bis(dimethylamino)- is 14749-76-9.
What is the molecular formula of Pentalene, 1,3-bis(dimethylamino)-?
The molecular formula of Pentalene, 1,3-bis(dimethylamino)- is C12H16N2.
What is the molecular weight of Pentalene, 1,3-bis(dimethylamino)-?
The molecular weight of Pentalene, 1,3-bis(dimethylamino)- is 188.13 g/mol.
Where can I buy Pentalene, 1,3-bis(dimethylamino)-?
You can request a quote for Pentalene, 1,3-bis(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentalene, 1,3-bis(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Pentalene, 1,3-bis(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.