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CAS 118970-95-9 (R)-3-hydroxy-13-(phosphonooxy)-propanoic acid trisodium salt hydrate molecular structure lightbox
CAS RN: 118970-95-9

(R)-3-hydroxy-13-(phosphonooxy)-propanoic acid trisodium salt hydrate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-019182
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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: ＞97%
  • 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 118970-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

118970-95-9 / [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanol

(1-Benzylpyrrolidin-2-yl)diphenylmethanol | (1-benzylpyrrolidin-2-yl)-diphenylmethanol | C24H25NO

Standard CAS: 118970-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118970-95-9
Multi CAS
Yes
Molecular Formula
C24H25NO
Molecular Weight
343.500000
Exact Mass
343.193614
SMILES
C1C[C@H](N(C1)CC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H25NO/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20/h1-9,11-16,23,26H,10,17-19H2/t23-/m0/s1
InChIKey
AZOXPIPWRDWNBA-QHCPKHFHSA-N
Synonyms
(1-Benzylpyrrolidin-2-yl)diphenylmethanol (1-benzylpyrrolidin-2-yl)-diphenylmethanol C24H25NO TimTec1_004492 Oprea1_664073

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
105.76
TPSA
23.47

LogP / Solubility

WLOGP
4.59
MLOGP
4.05
XLogP3
4.6
Consensus LogP
4.41
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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