alpha-Diplospartyrine
TL;DR: alpha-Diplospartyrine (CAS 79445-14-0) is a chemical compound with molecular formula C30H48N4 and molecular weight 464.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene
Also Known As: alpha-Diplospartyrine, KST-1B8633, 10-(5,6-didehydrospartein-5-yl)sparteine, 5-(Spartein-17-yl)-5,6-didehydrosparteine, 1,6'-Bi-7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, 1',3,3',4,4',7,7',7a,7'a,8,8',9,9',10,10',11,11',13,13',14,14',14'a-docosahydro-
| Molecular Formula | C30H48N4 |
|---|---|
| Molecular Weight | 464.39 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 464.3879 |
| Heavy Atoms | 34 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 79445-14-0 |
|---|---|
| SMILES | C1CCN2CC3CC(C2C1)CN4C3=C(CCC4)C5C6CC(CN7C6CCCC7)C8N5CCCC8 |
| InChIKey | NCVDJILWSNOQKW-UHFFFAOYSA-N |
Product Overview
alpha-Diplospartyrine (CAS 79445-14-0), with molecular formula C30H48N4 and molecular weight 464.39 g/mol. IUPAC: 3-(7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene.
Chemical Property Profile of alpha-Diplospartyrine
Property Insights of alpha-Diplospartyrine
The XLogP value of 4.2 indicates that alpha-Diplospartyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, alpha-Diplospartyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Diplospartyrine has 0 hydrogen bond donor(s) and 4 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 alpha-Diplospartyrine?
The CAS number of alpha-Diplospartyrine is 79445-14-0.
What is the molecular formula of alpha-Diplospartyrine?
The molecular formula of alpha-Diplospartyrine is C30H48N4.
What is the molecular weight of alpha-Diplospartyrine?
The molecular weight of alpha-Diplospartyrine is 464.39 g/mol.
Where can I buy alpha-Diplospartyrine?
You can request a quote for alpha-Diplospartyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Diplospartyrine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Diplospartyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.