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CAS 110567-21-0 (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene molecular structure lightbox
CAS RN: 110567-21-0

(1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 5g / 25g / 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011608
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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: 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 110567-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

110567-21-0 / (1S,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol

(1S,2R)-2-(BENZYLOXYMETHYL)-1-HYDROXY-3-CYCLOPENTENE | (1S,2R)-2-[(benzyloxy)methyl]cyclopent-3-en-1-ol | MFCD09263486

Standard CAS: 110567-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110567-21-0
Multi CAS
Yes
Molecular Formula
C13H16O2
Molecular Weight
204.260000
Exact Mass
204.115030
SMILES
C1C=C[C@@H]([C@H]1O)COCC2=CC=CC=C2
InChI
InChI=1S/C13H16O2/c14-13-8-4-7-12(13)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2/t12-,13+/m1/s1
InChIKey
WACMQXMZXZTKIV-OLZOCXBDSA-N
Synonyms
(1S,2R)-2-(BENZYLOXYMETHYL)-1-HYDROXY-3-CYCLOPENTENE (1S,2R)-2-[(benzyloxy)methyl]cyclopent-3-en-1-ol MFCD09263486 (1S, 2R)-2-(BENZYLOXYMETHYL)-1-HYDROXY-3-CYCLOPENTENE (1S,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.35
TPSA
29.46

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.45

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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