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CAS 882855-68-7 rel-(1S,3R,5S)-3-{[(benzyloxy)carbonyl]amino}-5-hydroxycyclohexane-1-carboxylic acid molecular structure lightbox
CAS RN: 882855-68-7

rel-(1S,3R,5S)-3-{[(benzyloxy)carbonyl]amino}-5-hydroxycyclohexane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-198844
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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 882855-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

882855-68-7 / 3-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Standard CAS: 882855-68-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
882855-68-7
Multi CAS
Yes
Molecular Formula
C15H19NO5
Molecular Weight
293.310000
Exact Mass
293.126323
InChI
InChI=1S/C15H19NO5/c17-13-7-11(14(18)19)6-12(8-13)16-15(20)21-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2,(H,16,20)(H,18,19)/t11-,12+,13-/m0/s1
InChIKey
WZVWSSYUOBLPQS-XQQFMLRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
74.53
TPSA
95.86

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

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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