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CAS 10476-41-2 4-methoxy-2,2′-bipyrrole-5-carboxaldehyde molecular structure lightbox
CAS RN: 10476-41-2

4-methoxy-2,2′-bipyrrole-5-carboxaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-006485
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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: 0.25g
  • 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 10476-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

10476-41-2 / 3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrole-2-carbaldehyde

4-Methoxy-2,2'-bipyrrole-5-carboxaldehyde | 3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrole-2-carbaldehyde | 4-methoxy-2,2'-bipyrrole-5-carbaldehyde

Standard CAS: 10476-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10476-41-2
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
COC1=C(NC(=C1)C2=CC=CN2)C=O
InChI
InChI=1S/C10H10N2O2/c1-14-10-5-8(12-9(10)6-13)7-3-2-4-11-7/h2-6,11-12H,1H3
InChIKey
MQCYELLGZFKAFD-UHFFFAOYSA-N
Synonyms
4-Methoxy-2,2'-bipyrrole-5-carboxaldehyde 3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrole-2-carbaldehyde 4-methoxy-2,2'-bipyrrole-5-carbaldehyde DTXSID20146696 [2,2'-Bi-1H-pyrrole]-5-carboxaldehyde, 4-methoxy-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.52
TPSA
57.88

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1
Consensus LogP
1.48
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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