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CAS 61597-98-6 (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (S)-2-Hydroxypropionate molecular structure lightbox
CAS RN: 61597-98-6

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (S)-2-Hydroxypropionate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250712 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251228 500g Out of stock Inquiry
Batchno.20251015 5g In stock Shanghai Inquiry
Batchno.20250426 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-170523
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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: 100g
  • Available purity: ＞97%
  • 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 61597-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

61597-98-6 / (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoate

Standard CAS: 61597-98-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61597-98-6
Multi CAS
Yes
Molecular Formula
C13H24O3
Molecular Weight
228.330000
Exact Mass
228.172545
InChI
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3
InChIKey
UJNOLBSYLSYIBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.9
TPSA
46.53

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
3.3
Consensus LogP
2.59
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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