[email protected]
CAS 5231-60-7 (2β,5α,12β,19α)-4β-(Acetyloxy)-6,7-didehydro-3β-hydroxy-1-methylaspidospermidine-3-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 5231-60-7

(2β,5α,12β,19α)-4β-(Acetyloxy)-6,7-didehydro-3β-hydroxy-1-methylaspidospermidine-3-carboxylic acid methyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260420 5mg Out of stock Inquiry
  • Product code: starshine_CAS5231-60-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5231-60-7 / methyl 11-acetyloxy-12-ethyl-10-hydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-3-carboxylate

Standard CAS: 5231-60-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5231-60-7
Multi CAS
Yes
Molecular Formula
C24H30N2O5
Molecular Weight
426.500000
Exact Mass
426.215472
InChI
InChI=1S/C24H30N2O5/c1-5-22-11-8-13-26-14-12-23(18(22)26)16-9-6-7-10-17(16)25(3)19(23)24(29,21(28)30-4)20(22)31-15(2)27/h6-11,18-20,29H,5,12-14H2,1-4H3/t18-,19+,20+,22+,23+,24-/m0/s1
InChIKey
SASWULSUPROHRT-MCIGMTSASA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
115.05
TPSA
79.31

LogP / Solubility

WLOGP
1.88
MLOGP
1.68
XLogP3
2.5
Consensus LogP
2.02
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly 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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us