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CAS 1646862-39-6 (4R,4’R)-2,2′-methylenebis[4,5-dihydro-4-(phenylmethyl)-Oxazole molecular structure lightbox
CAS RN: 1646862-39-6

(4R,4’R)-2,2′-methylenebis[4,5-dihydro-4-(phenylmethyl)-Oxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-072001
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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: 0.1g, 0.25g, 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 1646862-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1646862-39-6 / (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 1646862-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1646862-39-6
Multi CAS
No
Molecular Formula
C21H22N2O2
Molecular Weight
334.400000
Exact Mass
334.168128
SMILES
C1[C@H](N=C(O1)CC2=N[C@@H](CO2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c1-3-7-16(8-4-1)11-18-14-24-20(22-18)13-21-23-19(15-25-21)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m1/s1
InChIKey
FJGIVZKTXYTIHL-RTBURBONSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
99.26
TPSA
43.18

LogP / Solubility

WLOGP
3.46
MLOGP
3.06
XLogP3
3.5
Consensus LogP
3.34
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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