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CAS 172900-71-9 Benzenepropanoic acid, 4-methoxy-3-(3-methoxypropoxy)-a-(1-methylethyl)-, (aR)- molecular structure lightbox
CAS RN: 172900-71-9

Benzenepropanoic acid, 4-methoxy-3-(3-methoxypropoxy)-a-(1-methylethyl)-, (aR)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-075970
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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
  • 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 172900-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

172900-71-9 / (2R)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutanoic acid

Standard CAS: 172900-71-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172900-71-9
Multi CAS
No
Molecular Formula
C17H26O5
Molecular Weight
310.400000
Exact Mass
310.178024
SMILES
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C(=O)O
InChI
InChI=1S/C17H26O5/c1-12(2)14(17(18)19)10-13-6-7-15(21-4)16(11-13)22-9-5-8-20-3/h6-7,11-12,14H,5,8-10H2,1-4H3,(H,18,19)/t14-/m1/s1
InChIKey
SZXUFLXBJGFODO-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.65
TPSA
64.99

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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