CAS RN: 58738-31-1
16-Oxoprometaphanine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251004 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS58738-31-1
- Purity/Analytical Methods: >99.0%
58738-31-1 / (1R,8S,10S)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene-11,16-dione
Basic Information
CAS
58738-31-1
Multi CAS
Yes
Molecular Formula
C20H23NO6
Molecular Weight
373.400000
Exact Mass
373.152537
InChI
InChI=1S/C20H23NO6/c1-21-15(23)10-19-8-7-14(26-3)18(24)20(19,21)9-12(22)11-5-6-13(25-2)17(27-4)16(11)19/h5-7,12,22H,8-10H2,1-4H3/t12-,19+,20+/m0/s1
InChIKey
ZLACZJGCNXVIAX-NXXCRTJYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
95.63
TPSA
85.3
LogP / Solubility
WLOGP
1.48
MLOGP
1.33
XLogP3
0.9
Consensus LogP
1.24
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
N-Methyl-N-(Methylsulfonyl)glycine Ethyl Ester
- CAS RN: 58742-72-6
- Product Code: SSC-167060
-
4′-methoxy[1,1′-biphenyl]-4-carbonitrile
- CAS RN: 58743-77-4
- Product Code: starshine_CAS58743-77-4
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 58743-77-4 4′-methoxy[1,1′-biphenyl]-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58743-77-4.gif)
