Batzelladine B
TL;DR: Batzelladine B (CAS 161503-23-7) is a chemical compound with molecular formula C40H67N9O4 and molecular weight 737.53 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 (10S)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate
Also Known As: Batzelladine B, 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 7-heptyl-2,2a,6,7,8,8a-hexahydro-4-methyl-, 9-(4-((4-((aminoiminomethyl)amino)butoxy)carbonyl)-1,2,3,5,6,7-hexahydro-1-iminopyrrolo(1,2-c)pyrimidin-3-yl)nonyl ester, (7S)-, 9-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]nonyl (10S)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate, 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 7-heptyl-2,2a,6,7,8,8a-hexahydro-4-methyl-, 9-[4-[[4-[(aminoiminomethyl)amino]butoxy]carbonyl]-1,2,3,5,6,7-hexahydro-1-iminopyrrolo[1,2-c]pyrimidin-3-yl]nonyl ester, (7S)-, 9-(4-{[4-(Carbamimidoylamino)butoxy]carbonyl}-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-3-yl)nonyl (7S)-7-heptyl-4-methyl-2,2a,6,7,8,8a-hexahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate
| Molecular Formula | C40H67N9O4 |
|---|---|
| Molecular Weight | 737.53 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 737.5316 |
| Heavy Atoms | 53 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 161503-23-7 |
|---|---|
| SMILES | CCCCCCC[C@H]1CC2CCC3N2C(=N1)NC(=C3C(=O)OCCCCCCCCCC4C(=C5CCCN5C(=N4)N)C(=O)OCCCCN=C(N)N)C |
| InChIKey | CFRXQGXKLCOKGG-ZJPWGVPUSA-N |
Product Overview
Batzelladine B (CAS 161503-23-7), with molecular formula C40H67N9O4 and molecular weight 737.53 g/mol. IUPAC: 9-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]nonyl (10S)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate.
Chemical Property Profile of Batzelladine B
Property Insights of Batzelladine B
The XLogP value of 5.4 indicates that Batzelladine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Batzelladine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Batzelladine B 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 B?
The CAS number of Batzelladine B is 161503-23-7.
What is the molecular formula of Batzelladine B?
The molecular formula of Batzelladine B is C40H67N9O4.
What is the molecular weight of Batzelladine B?
The molecular weight of Batzelladine B is 737.53 g/mol.
Where can I buy Batzelladine B?
You can request a quote for Batzelladine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batzelladine B?
Yes, KEHONG BIO provides custom synthesis services for Batzelladine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.