去乙酰长春碱酰肼
TL;DR: 去乙酰长春碱酰肼 (CAS 55383-37-4) is a chemical compound with molecular formula C43H56N6O7 and molecular weight 768.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去乙酰长春碱酰肼
methyl (13S,15R,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10-(hydrazinecarbonyl)-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: 4-Desacetylvinblastine hydrazide, DAVLBH, DAVLBHYD, Desacetylvinblastine hydrazide, Deacetylvinblastine hydrazide
| Molecular Formula | C43H56N6O7 |
|---|---|
| Molecular Weight | 768.42 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 768.421 |
| Heavy Atoms | 56 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 55383-37-4 |
|---|---|
| SMILES | CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)NN)O)O)CC)OC)C(=O)OC)O |
| InChIKey | PPRGGNQLPSVURC-ZVTSDNJWSA-N |
Product Overview
去乙酰长春碱酰肼 (CAS 55383-37-4), with molecular formula C43H56N6O7 and molecular weight 768.42 g/mol. IUPAC: methyl (13S,15R,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10-(hydrazinecarbonyl)-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate.
Chemical Property Profile of 去乙酰长春碱酰肼
Property Insights of 去乙酰长春碱酰肼
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去乙酰长春碱酰肼. The TPSA of 177.0 Ų indicates high polarity, suggesting 去乙酰长春碱酰肼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 去乙酰长春碱酰肼 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 去乙酰长春碱酰肼?
The CAS number of 去乙酰长春碱酰肼 is 55383-37-4.
What is the molecular formula of 去乙酰长春碱酰肼?
The molecular formula of 去乙酰长春碱酰肼 is C43H56N6O7.
What is the molecular weight of 去乙酰长春碱酰肼?
The molecular weight of 去乙酰长春碱酰肼 is 768.42 g/mol.
Where can I buy 去乙酰长春碱酰肼?
You can request a quote for 去乙酰长春碱酰肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去乙酰长春碱酰肼?
Yes, KEHONG BIO provides custom synthesis services for 去乙酰长春碱酰肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.