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CAS 695816-47-8 2-{2-[(2S,5S)-2,5-dimethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97% molecular structure lightbox
CAS RN: 695816-47-8

2-{2-[(2S,5S)-2,5-dimethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97%

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100mg In stock Shanghai Inquiry
Batchno.20260202 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250410 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250224 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS695816-47-8
  • Purity/Analytical Methods: >99.0%
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695816-47-8 / 2-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-1,3-dioxolane

Standard CAS: 695816-47-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
695816-47-8
Multi CAS
Yes
Molecular Formula
C15H21O2P
Molecular Weight
264.300000
Exact Mass
264.127917
InChI
InChI=1S/C15H21O2P/c1-11-7-8-12(2)18(11)14-6-4-3-5-13(14)15-16-9-10-17-15/h3-6,11-12,15H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKey
JAKXTLMNIHPLEU-RYUDHWBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.8
TPSA
18.46

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
2.3
Consensus LogP
2.91
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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