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CAS 192057-49-1 Budesonide iMpurity molecular structure lightbox
CAS RN: 192057-49-1

Budesonide iMpurity

  • Product code: SSC-089912
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 192057-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

192057-49-1 / (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid

Standard CAS: 192057-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192057-49-1
Multi CAS
No
Molecular Formula
C24H32O6
Molecular Weight
416.500000
Exact Mass
416.219889
SMILES
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)O)C)O)C
InChI
InChI=1S/C24H32O6/c1-4-5-19-29-18-11-16-15-7-6-13-10-14(25)8-9-22(13,2)20(15)17(26)12-23(16,3)24(18,30-19)21(27)28/h8-10,15-20,26H,4-7,11-12H2,1-3H3,(H,27,28)/t15-,16-,17-,18+,19?,20+,22-,23-,24-/m0/s1
InChIKey
GHPORMLBYXHFAV-SREVKRBTSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
108.41
TPSA
93.06

LogP / Solubility

WLOGP
3.24
MLOGP
2.88
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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