N,N-Dimethylstaurosporine
TL;DR: N,N-Dimethylstaurosporine (CAS 129623-30-9) is a chemical compound with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Also Known As: N,N-Dimethylstaurosporine, 7-(Dimethylamino)-8-methoxy-9-methyl-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-16-ol, (2S,3S,4R,6R)-4-(Dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one, (5R,7R,8S,9S)-7-(Dimethylamino)-8-methoxy-9-methyl-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-16-ol
| Molecular Formula | C29H28N4O3 |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 480.21616 |
| Heavy Atoms | 36 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 129623-30-9 |
|---|---|
| SMILES | C[C@@]12[C@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C)OC |
| InChIKey | NJFTXXMZGIINOF-RIGRGULHSA-N |
Product Overview
N,N-Dimethylstaurosporine (CAS 129623-30-9), with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol. IUPAC: (2S,3S,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one.
Chemical Property Profile of N,N-Dimethylstaurosporine
Property Insights of N,N-Dimethylstaurosporine
The XLogP value of 3.7 indicates that N,N-Dimethylstaurosporine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethylstaurosporine. Following Lipinski's Rule of Five, N,N-Dimethylstaurosporine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Dimethylstaurosporine?
The CAS number of N,N-Dimethylstaurosporine is 129623-30-9.
What is the molecular formula of N,N-Dimethylstaurosporine?
The molecular formula of N,N-Dimethylstaurosporine is C29H28N4O3.
What is the molecular weight of N,N-Dimethylstaurosporine?
The molecular weight of N,N-Dimethylstaurosporine is 480.22 g/mol.
Where can I buy N,N-Dimethylstaurosporine?
You can request a quote for N,N-Dimethylstaurosporine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethylstaurosporine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethylstaurosporine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.