Trabectedin intermediate
TL;DR: Trabectedin intermediate (CAS 236743-98-9) is a chemical compound with molecular formula C31H37N3O7 and molecular weight 563.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,13R,15R,16S)-13-(hydroxymethyl)-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaene-15-carbonitrile
Also Known As: trabectedin intermediate, bromo-9 phenyl-10 anthracene, (6aS,7R,13S,14R,16R)-6,6a,7,13,14,16-Hexahydro-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-(2-propen-1-yloxy)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, (6aS,7R,13S,14R,16R)-5-(allyloxy)-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-6,6a,7,13,14,16-hexahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-14-carbonitrile, (1R,2S,13R,15R,16S)-13-(hydroxymethyl)-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-(prop-2-en-1-yloxy)-8,10-dioxa-14,24-diazahexacyclo[14.7.1.0,.0,.0,.0,]tetracosa-4(12),5,7(11),18,20,22-hexaene-15-carbonitrile
| Molecular Formula | C31H37N3O7 |
|---|---|
| Molecular Weight | 563.26 g/mol |
| LogP | 3.35192 |
| Topological Polar Surface Area | 105.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 563.2631 |
| Heavy Atoms | 41 |
| Complexity | 1420.1324 |
Chemical Identifiers
| CAS Number | 236743-98-9 |
|---|---|
| SMILES | CC1=CC2=C([C@@H]3[C@@H]4CC5=C(C(=C6C(=C5[C@@H](N4[C@H]([C@H](C2)N3C)C#N)CO)OCO6)C)OCC=C)C(=C1OC)OCOC |
Product Overview
Trabectedin intermediate (CAS 236743-98-9), with molecular formula C31H37N3O7 and molecular weight 563.26 g/mol. IUPAC: (1R,2S,13R,15R,16S)-13-(hydroxymethyl)-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaene-15-carbonitrile.
Chemical Property Profile of Trabectedin intermediate
Property Insights of Trabectedin intermediate
The XLogP value of 3.35192 indicates that Trabectedin intermediate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Trabectedin intermediate. Following Lipinski's Rule of Five, Trabectedin intermediate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trabectedin intermediate?
The CAS number of Trabectedin intermediate is 236743-98-9.
What is the molecular formula of Trabectedin intermediate?
The molecular formula of Trabectedin intermediate is C31H37N3O7.
What is the molecular weight of Trabectedin intermediate?
The molecular weight of Trabectedin intermediate is 563.26 g/mol.
Where can I buy Trabectedin intermediate?
You can request a quote for Trabectedin intermediate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trabectedin intermediate?
Yes, KEHONG BIO provides custom synthesis services for Trabectedin intermediate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.