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CAS 1089-77-6 ethane-1,2-diylbis(phenylphosphinic acid) molecular structure lightbox
CAS RN: 1089-77-6

ethane-1,2-diylbis(phenylphosphinic acid)

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 100mg Out of stock Inquiry
Batchno.20260625 1g Out of stock Inquiry
Batchno.20250817 250mg In stock Tianjin Inquiry
Batchno.20260427 50mg Out of stock Inquiry
  • Product code: SSC-010091
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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: 0.25g
  • 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 1089-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1089-77-6 / 2-[hydroxy(phenyl)phosphoryl]ethyl-phenylphosphinic acid

Ethane-1,2-diylbis(phenylphosphinic acid) | MFCD30607312 | NSC407882

Standard CAS: 1089-77-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1089-77-6
Multi CAS
Yes
Molecular Formula
C14H16O4P2
Molecular Weight
310.220000
Exact Mass
310.052383
SMILES
C1=CC=C(C=C1)P(=O)(CCP(=O)(C2=CC=CC=C2)O)O
InChI
InChI=1S/C14H16O4P2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)(H,17,18)
InChIKey
FYLYSEXHKNLCOF-UHFFFAOYSA-N
Synonyms
Ethane-1,2-diylbis(phenylphosphinic acid) MFCD30607312 NSC407882 P,P'-diphenylethylenediphosphinic acid 2-[hydroxy(phenyl)phosphoryl]ethyl-phenylphosphinic acid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.54
TPSA
74.6

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
0.7
Consensus LogP
1.6
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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