C52H61N9O8T2
TL;DR: C52H61N9O8T2 (CAS 102976-55-6) is a chemical compound with molecular formula C52H63N9O8 and molecular weight 945.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13S,15S,17S)-13-[(9R,10S,11R,12R,19R)-10-[2-[(4-azido-3,5-ditritiobenzoyl)amino]ethylcarbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: 3-(((2-((4-Azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine, Vincaleukoblastine, 3-(((2-((4-azidobenzoyl-3,5-t2)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-
| Molecular Formula | C52H63N9O8 |
|---|---|
| Molecular Weight | 945.50 g/mol |
| LogP | 4.7351 |
| Topological Polar Surface Area | 228.69 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 945.4964 |
| Heavy Atoms | 69 |
| Complexity | 2904.4722 |
Chemical Identifiers
| CAS Number | 102976-55-6 |
|---|---|
| SMILES | [3H]C1=CC(=CC(=C1N=[N+]=[N-])[3H])C(=O)NCCNC(=O)[C@]2([C@@H]([C@@]3(C=CCN4[C@@H]3C5([C@H]2N(C6=CC(=C(C=C65)[C@]7(C[C@H]8C[C@](CN(C8)CCC9=C7NC1=CC=CC=C91)(CC)O)C(=O)OC)OC)C)CC4)CC)O)O |
Product Overview
C52H61N9O8T2 (CAS 102976-55-6), with molecular formula C52H63N9O8 and molecular weight 945.50 g/mol. IUPAC: methyl (13S,15S,17S)-13-[(9R,10S,11R,12R,19R)-10-[2-[(4-azido-3,5-ditritiobenzoyl)amino]ethylcarbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate.
Chemical Property Profile of C52H61N9O8T2
Property Insights of C52H61N9O8T2
The XLogP value of 4.7351 indicates that C52H61N9O8T2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.69 Ų indicates high polarity, suggesting C52H61N9O8T2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C52H61N9O8T2 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C52H61N9O8T2?
The CAS number of C52H61N9O8T2 is 102976-55-6.
What is the molecular formula of C52H61N9O8T2?
The molecular formula of C52H61N9O8T2 is C52H63N9O8.
What is the molecular weight of C52H61N9O8T2?
The molecular weight of C52H61N9O8T2 is 945.50 g/mol.
Where can I buy C52H61N9O8T2?
You can request a quote for C52H61N9O8T2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C52H61N9O8T2?
Yes, KEHONG BIO provides custom synthesis services for C52H61N9O8T2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.