4,5-Didehydroisocarbacyclin
TL;DR: 4,5-Didehydroisocarbacyclin (CAS 6279-11-4) is a chemical compound with molecular formula C28H38Cl2N4O and molecular weight 516.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]-2-one;dihydrochloride
Also Known As: 4,5-Ddhica, 4,5-Didehydroisocarbacyclin, KST-1A9423, 1'-[3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2h-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one dihydrochloride, 1'-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-6,7,8,8a-tetrahydro-5H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-ol--hydrogen chloride (1/2)
| Molecular Formula | C28H38Cl2N4O |
|---|---|
| Molecular Weight | 516.24 g/mol |
| LogP | 4.9334 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.24225 |
| Heavy Atoms | 35 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 6279-11-4 |
|---|---|
| SMILES | C1CCN2C(C1)NC(=O)C23CCN(CC3)CCCN4C5=CC=CC=C5CCC6=CC=CC=C64.Cl.Cl |
| InChIKey | LDMDSECWAIHBNX-UHFFFAOYSA-N |
Product Overview
4,5-Didehydroisocarbacyclin (CAS 6279-11-4), with molecular formula C28H38Cl2N4O and molecular weight 516.24 g/mol. IUPAC: 1'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]-2-one;dihydrochloride.
Chemical Property Profile of 4,5-Didehydroisocarbacyclin
Property Insights of 4,5-Didehydroisocarbacyclin
The XLogP value of 4.9334 indicates that 4,5-Didehydroisocarbacyclin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 4,5-Didehydroisocarbacyclin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Didehydroisocarbacyclin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Didehydroisocarbacyclin?
The CAS number of 4,5-Didehydroisocarbacyclin is 6279-11-4.
What is the molecular formula of 4,5-Didehydroisocarbacyclin?
The molecular formula of 4,5-Didehydroisocarbacyclin is C28H38Cl2N4O.
What is the molecular weight of 4,5-Didehydroisocarbacyclin?
The molecular weight of 4,5-Didehydroisocarbacyclin is 516.24 g/mol.
Where can I buy 4,5-Didehydroisocarbacyclin?
You can request a quote for 4,5-Didehydroisocarbacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Didehydroisocarbacyclin?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Didehydroisocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.