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CAS 215169-00-9 (R)-2-(3-(3-(3,4-dimethoxyphenyl)-1-hydroxypropyl)phenoxy)acetic acid molecular structure lightbox
CAS RN: 215169-00-9

(R)-2-(3-(3-(3,4-dimethoxyphenyl)-1-hydroxypropyl)phenoxy)acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-103110
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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 215169-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

215169-00-9 / 2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]acetic acid

Standard CAS: 215169-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215169-00-9
Multi CAS
No
Molecular Formula
C19H22O6
Molecular Weight
346.400000
Exact Mass
346.141638
SMILES
COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCC(=O)O)O)OC
InChI
InChI=1S/C19H22O6/c1-23-17-9-7-13(10-18(17)24-2)6-8-16(20)14-4-3-5-15(11-14)25-12-19(21)22/h3-5,7,9-11,16,20H,6,8,12H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKey
GYXQNDKPMJSIDG-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
92.4
TPSA
85.22

LogP / Solubility

WLOGP
2.83
MLOGP
2.51
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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