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CAS 1096790-29-2 4-(3-Methoxyphenyl)-1H-pyrrole-3-carboxylic Acid molecular structure lightbox
CAS RN: 1096790-29-2

4-(3-Methoxyphenyl)-1H-pyrrole-3-carboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-011020
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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 1096790-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1096790-29-2 / 4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid

4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid | MFCD11217947 | WTB79029

Standard CAS: 1096790-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1096790-29-2
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
COC1=CC=CC(=C1)C2=CNC=C2C(=O)O
InChI
InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(5-9)10-6-13-7-11(10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKey
MWVGZRPLEPVDAB-UHFFFAOYSA-N
Synonyms
4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid MFCD11217947 WTB79029 AKOS009459276 SY183766

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.74
TPSA
62.32

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
1.8
Consensus LogP
2.1
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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