Batzelladine C
TL;DR: Batzelladine C (CAS 161503-24-8) is a chemical compound with molecular formula C27H48N6O2 and molecular weight 488.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate
Also Known As: Batzelladine C, 4-guanidinobutyl heptyl(pentyl)[?]carboxylate, 4-Carbamimidamidobutyl 7-heptyl-4-pentyl-2,4,5,7,8,8a-hexahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate
| Molecular Formula | C27H48N6O2 |
|---|---|
| Molecular Weight | 488.38 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 488.38388 |
| Heavy Atoms | 35 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 161503-24-8 |
|---|---|
| SMILES | CCCCCCC[C@H]1CC2CCC3=C(C(N=C(N23)N1)CCCCC)C(=O)OCCCCN=C(N)N |
| InChIKey | JHUNDPSWNACCLC-HWELCPFYSA-N |
Product Overview
Batzelladine C (CAS 161503-24-8), with molecular formula C27H48N6O2 and molecular weight 488.38 g/mol. IUPAC: 4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate.
Chemical Property Profile of Batzelladine C
Property Insights of Batzelladine C
The XLogP value of 4.8 indicates that Batzelladine C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Batzelladine C. Following Lipinski's Rule of Five, Batzelladine C has 3 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 Batzelladine C?
The CAS number of Batzelladine C is 161503-24-8.
What is the molecular formula of Batzelladine C?
The molecular formula of Batzelladine C is C27H48N6O2.
What is the molecular weight of Batzelladine C?
The molecular weight of Batzelladine C is 488.38 g/mol.
Where can I buy Batzelladine C?
You can request a quote for Batzelladine C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batzelladine C?
Yes, KEHONG BIO provides custom synthesis services for Batzelladine C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.