CAS 131918-61-1 Paricalcitol molecular structure

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CAS RN: 131918-61-1

Paricalcitol

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10 package records10 with current stock2 grade groups

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251101	100mg	In stock	Shanghai	Inquiry
Batchno.20260329	10mg	In stock	Shanghai	Inquiry
Batchno.20250524	1mg	In stock	Shanghai	Inquiry
Batchno.20250809	250mg	In stock	Shanghai	Inquiry
Batchno.20250425	25mg	In stock	Shanghai	Inquiry
Batchno.20260415	50mg	In stock	Shanghai	Inquiry
Batchno.20251116	5mg	In stock	Shanghai	Inquiry

Batch No.	Package	Availability	Inquiry
Batchno.20260403	10mg	In stock	Inquiry
Batchno.20250519	1mg	In stock	Inquiry
Batchno.20260217	5mg	In stock	Inquiry

Product code: SSC-038987

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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
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 131918-61-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	0 Out of Stock	Shanghai	Inquiry

131918-61-1 / trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

Standard CAS: 131918-61-1 Multi CAS: No

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

131918-61-1

Multi CAS

Molecular Formula

C27H44O3

Molecular Weight

416.600000

Exact Mass

416.329045

SMILES

C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C

InChI

InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1

InChIKey

BPKAHTKRCLCHEA-UBFJEZKGSA-N

Physical Properties

Physical Description

Solid

Appearance

White, crystalline powder

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.78

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

123.97

TPSA

60.69

LogP / Solubility

WLOGP

5.56

MLOGP

4.92

XLogP3

Consensus LogP

5.16

Log S (ESOL)

-5.6

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.99

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.58

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.31

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Acute Toxic Health Hazard

Signal

Danger

GHS Hazard Statements

H300 (72.5%): Fatal if swallowed [Danger Acute toxicity, oral] H301+H311 (27.5%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (27.5%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (99.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H330 (27.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statement Codes

P203, P260, P262, P263, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501