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CAS 226393-33-5 Phospholane, 1-hydroxy-2,5-diphenyl-, 1-oxide, (2R,5R)- molecular structure lightbox
CAS RN: 226393-33-5

Phospholane, 1-hydroxy-2,5-diphenyl-, 1-oxide, (2R,5R)-

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251124 1g In stock Shenzhen Inquiry
Batchno.20250122 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260505 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS226393-33-5
  • Purity/Analytical Methods: >99.0%
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226393-33-5 / (2R,5R)-1-hydroxy-2,5-diphenyl-1lambda5-phospholane 1-oxide

Standard CAS: 226393-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226393-33-5
Multi CAS
No
Molecular Formula
C16H17O2P
Molecular Weight
272.280000
Exact Mass
272.096617
SMILES
C1C[C@@H](P(=O)([C@H]1C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C16H17O2P/c17-19(18)15(13-7-3-1-4-8-13)11-12-16(19)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,17,18)/t15-,16-/m1/s1
InChIKey
JXBQOEHGCNDFQE-HZPDHXFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.43
TPSA
37.3

LogP / Solubility

WLOGP
4.53
MLOGP
4
XLogP3
2.4
Consensus LogP
3.64
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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