Batzelladine D
TL;DR: Batzelladine D (CAS 161596-65-2) is a chemical compound with molecular formula C25H46N6O2 and molecular weight 462.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Also Known As: Batzelladine D, 4-guanidinobutyl methyl(nonyl)[?]carboxylate, 4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate, 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,6,7,8,8a-octahydro-4-methyl-7-nonyl-, 4-((aminoiminomethyl)amino)butyl ester, (4R,7S)-, 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,6,7,8,8a-octahydro-4-methyl-7-nonyl-, 4-[(aminoiminomethyl)amino]butyl ester, (4R,7S)-
| Molecular Formula | C25H46N6O2 |
|---|---|
| Molecular Weight | 462.37 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 462.36823 |
| Heavy Atoms | 33 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 161596-65-2 |
|---|---|
| SMILES | CCCCCCCCC[C@H]1CC2CCC3N2C(=N[C@@H](C3C(=O)OCCCCN=C(N)N)C)N1 |
| InChIKey | ADTVXWWEQNJMHD-SDMFIQJWSA-N |
Product Overview
Batzelladine D (CAS 161596-65-2), with molecular formula C25H46N6O2 and molecular weight 462.37 g/mol. IUPAC: 4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate.
Chemical Property Profile of Batzelladine D
Property Insights of Batzelladine D
The XLogP value of 4.0 indicates that Batzelladine D 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 D. Following Lipinski's Rule of Five, Batzelladine D 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 D?
The CAS number of Batzelladine D is 161596-65-2.
What is the molecular formula of Batzelladine D?
The molecular formula of Batzelladine D is C25H46N6O2.
What is the molecular weight of Batzelladine D?
The molecular weight of Batzelladine D is 462.37 g/mol.
Where can I buy Batzelladine D?
You can request a quote for Batzelladine D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batzelladine D?
Yes, KEHONG BIO provides custom synthesis services for Batzelladine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.