CAS 131918-64-4 14,15-Dehydro Budesonide molecular structure

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CAS RN: 131918-64-4

14,15-Dehydro Budesonide

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1 package records0 with current stock1 grade group

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260521	10mg	Out of stock	8-10 business days	Inquiry

Product code: SSC-038988

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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: 0.1g
Available purity: ≥95%
Inventory rows with stock: 0
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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 131918-64-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

131918-64-4 / (1R,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one

Standard CAS: 131918-64-4 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

131918-64-4

Multi CAS

Molecular Formula

C25H32O6

Molecular Weight

428.500000

Exact Mass

428.219889

SMILES

CCCC1O[C@@H]2C=C3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C

InChI

InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-11,16,18,20-22,26,28H,4-7,12-13H2,1-3H3/t16-,18-,20+,21?,22+,23-,24-,25+/m0/s1

InChIKey

PMZXYZGZQZYDLA-BQKXZEBKSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.68

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

112.84

TPSA

93.06

LogP / Solubility

WLOGP

2.64

MLOGP

2.35

XLogP3

1.9

Consensus LogP

2.3

Log S (ESOL)

-3.89

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.98

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.11

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-3.46

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

7.5

Safety & Transport

Pictogram(s)

Irritant Health Hazard

Signal

Danger

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P405, and P501