结核放线菌素N
TL;DR: 结核放线菌素N (CAS 33103-22-9) is a chemical compound with molecular formula C25H43N13O10 and molecular weight 685.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
结核放线菌素N
3,6-diamino-N-[3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
Also Known As: Tuberactinomycin N, 3,6-diamino-N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6, 3,6-diamino-N-[3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
| Molecular Formula | C25H43N13O10 |
|---|---|
| Molecular Weight | 685.33 g/mol |
| LogP | -7.4 |
| Topological Polar Surface Area | 393.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 685.32556 |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 33103-22-9 |
|---|---|
| SMILES | C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(C(CCN)O)N)N |
| InChIKey | HPWIIERXAFODPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
结核放线菌素N (CAS 33103-22-9), with molecular formula C25H43N13O10 and molecular weight 685.33 g/mol. IUPAC: 3,6-diamino-N-[3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide.
Chemical Property Profile of 结核放线菌素N
Property Insights of 结核放线菌素N
The XLogP value of -7.4 indicates that 结核放线菌素N is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.0 Ų indicates high polarity, suggesting 结核放线菌素N may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tuberactinomycin N has 15 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tuberactinomycin N?
The CAS number of Tuberactinomycin N is 33103-22-9.
What is the molecular formula of Tuberactinomycin N?
The molecular formula of Tuberactinomycin N is C25H43N13O10.
What is the molecular weight of Tuberactinomycin N?
The molecular weight of Tuberactinomycin N is 685.33 g/mol.
Where can I buy Tuberactinomycin N?
You can request a quote for Tuberactinomycin N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tuberactinomycin N?
Yes, KEHONG BIO provides custom synthesis services for Tuberactinomycin N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.