Batzelladine A
TL;DR: Batzelladine A (CAS 147664-18-4) is a chemical compound with molecular formula C42H73N9O4 and molecular weight 767.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]nonyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Also Known As: Batzelladine A, 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,5,7,8,8a-octahydro-4-methyl-7-nonyl-, 9-(1-amino-4-((4-((aminoiminomethyl)amino)butoxy)carbonyl)-3,5,6,7- tetrahydropyrrolo(1,2-c)pyrimidin-3-yl)nonyl ester, (2aalpha,3beta,4beta,7alpha,8abeta)-, 9-(4-{[4-(Carbamimidoylamino)butoxy]carbonyl}-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-3-yl)nonyl (4R,7S)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate, 9-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]nonyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate, 9-[4-(4-guanidinobutoxycarbonyl)-1-imino-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-3-yl]nonyl methyl(nonyl)[?]carboxylate
| Molecular Formula | C42H73N9O4 |
|---|---|
| Molecular Weight | 767.58 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 27 |
| Exact Mass | 767.57855 |
| Heavy Atoms | 55 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 147664-18-4 |
|---|---|
| SMILES | CCCCCCCCC[C@H]1CC2CCC3N2C(=N[C@@H](C3C(=O)OCCCCCCCCCC4C(=C5CCCN5C(=N4)N)C(=O)OCCCCN=C(N)N)C)N1 |
| InChIKey | WZGMBJKFYVONHF-PSFKQYMZSA-N |
Product Overview
Batzelladine A (CAS 147664-18-4), with molecular formula C42H73N9O4 and molecular weight 767.58 g/mol. IUPAC: 9-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]nonyl (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 A
Property Insights of Batzelladine A
The XLogP value of 6.6 indicates that Batzelladine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Batzelladine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Batzelladine A has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Batzelladine A?
The CAS number of Batzelladine A is 147664-18-4.
What is the molecular formula of Batzelladine A?
The molecular formula of Batzelladine A is C42H73N9O4.
What is the molecular weight of Batzelladine A?
The molecular weight of Batzelladine A is 767.58 g/mol.
Where can I buy Batzelladine A?
You can request a quote for Batzelladine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batzelladine A?
Yes, KEHONG BIO provides custom synthesis services for Batzelladine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.