Desacetyl VLB Sulfate
TL;DR: Desacetyl VLB Sulfate (CAS 38292-17-0) is a chemical compound with molecular formula C44H58N4O12S and molecular weight 866.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Desacetyl VLB Sulfate
methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
Also Known As: Desacetyl VLB Sulfate, 4-Desacetylvinblastine, Desacetylvincaleukoblastine sulfate, Vincaleukoblastine, desacetyl-, sulfate, methyl(2
| Molecular Formula | C44H58N4O12S |
|---|---|
| Molecular Weight | 866.38 g/mol |
| LogP | 2.7673 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 866.3772 |
| Heavy Atoms | 61 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 38292-17-0 |
|---|---|
| SMILES | CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
| InChIKey | VSMLZADJIZSDKN-MEFFJABKSA-N |
Product Overview
Desacetyl VLB Sulfate (CAS 38292-17-0), with molecular formula C44H58N4O12S and molecular weight 866.38 g/mol. IUPAC: methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid.
Chemical Property Profile of Desacetyl VLB Sulfate
Property Insights of Desacetyl VLB Sulfate
The XLogP value of 2.7673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetyl VLB Sulfate. The TPSA of 231.0 Ų indicates high polarity, suggesting Desacetyl VLB Sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desacetyl VLB Sulfate has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desacetyl VLB Sulfate?
The CAS number of Desacetyl VLB Sulfate is 38292-17-0.
What is the molecular formula of Desacetyl VLB Sulfate?
The molecular formula of Desacetyl VLB Sulfate is C44H58N4O12S.
What is the molecular weight of Desacetyl VLB Sulfate?
The molecular weight of Desacetyl VLB Sulfate is 866.38 g/mol.
Where can I buy Desacetyl VLB Sulfate?
You can request a quote for Desacetyl VLB Sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetyl VLB Sulfate?
Yes, KEHONG BIO provides custom synthesis services for Desacetyl VLB Sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.