[email protected]
CAS 13649-57-5 21-DESACETYL DEFLAZACORT molecular structure lightbox
CAS RN: 13649-57-5

21-DESACETYL DEFLAZACORT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 1mg / 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13649-57-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13649-57-5 / (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one

Standard CAS: 13649-57-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13649-57-5
Multi CAS
No
Molecular Formula
C23H29NO5
Molecular Weight
399.500000
Exact Mass
399.204573
SMILES
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO
InChI
InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
InChIKey
KENSGCYKTRNIST-RVUAFKSESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
106.19
TPSA
96.19

LogP / Solubility

WLOGP
1.99
MLOGP
1.78
XLogP3
1.4
Consensus LogP
1.72
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P280, P318, P319, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us