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CAS 1003886-05-2 (4S,4’S)-2,2′-(Cyclopentane-1,1-diyl)-bis(4-benzyl-4,5-dihydrooxazole) molecular structure lightbox
CAS RN: 1003886-05-2

(4S,4’S)-2,2′-(Cyclopentane-1,1-diyl)-bis(4-benzyl-4,5-dihydrooxazole)

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260518 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250818 250mg In stock Shanghai Inquiry
Batchno.20251223 5g In stock Shanghai Inquiry
  • Product code: SSC-000939
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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: ≥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 1003886-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1003886-05-2 / (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole

(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) | (4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)-bis(4-benzyl-4,5-dihydrooxazole) | MFCD28015909

Standard CAS: 1003886-05-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1003886-05-2
Multi CAS
Yes
Molecular Formula
C25H28N2O2
Molecular Weight
388.500000
Exact Mass
388.215078
SMILES
C1CCC(C1)(C2=N[C@H](CO2)CC3=CC=CC=C3)C4=N[C@H](CO4)CC5=CC=CC=C5
InChI
InChI=1S/C25H28N2O2/c1-3-9-19(10-4-1)15-21-17-28-23(26-21)25(13-7-8-14-25)24-27-22(18-29-24)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1
InChIKey
RSBSWYBZVIWBOP-VXKWHMMOSA-N
Synonyms
(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) (4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)-bis(4-benzyl-4,5-dihydrooxazole) MFCD28015909 (4S,4'S)-2,2'-Cyclopentylidenebis[4,5-dihydro-4-(phenylmethyl)oxazole] C25H28N2O2

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
115.54
TPSA
43.18

LogP / Solubility

WLOGP
4.63
MLOGP
4.09
XLogP3
4.9
Consensus LogP
4.54
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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
Yes
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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