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CAS 205675-68-9 carbamic acid, [(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester, rel- (9ci) molecular structure lightbox
CAS RN: 205675-68-9

carbamic acid, [(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester, rel- (9ci)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-096881
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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: 10g
  • 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 205675-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

205675-68-9 / benzyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]carbamate

Standard CAS: 205675-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205675-68-9
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
SMILES
C1[C@H](C=C[C@H]1O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H,14,16)/t11-,12+/m0/s1
InChIKey
QIVSXTSYXODYSG-NWDGAFQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.31
TPSA
58.56

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-3.01

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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