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CAS 107798-98-1 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE molecular structure lightbox
CAS RN: 107798-98-1

2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100mg In stock Shanghai Inquiry
Batchno.20250206 1g In stock Shanghai Inquiry
Batchno.20260526 250mg In stock Shanghai Inquiry
  • Product code: SSC-009174
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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: ＞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 107798-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

107798-98-1 / 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

5-PHENYLDIPYRROMETHANE | DTXSID60401973 | RefChem:304682

Standard CAS: 107798-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107798-98-1
Multi CAS
No
Molecular Formula
C15H14N2
Molecular Weight
222.280000
Exact Mass
222.115698
SMILES
C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3
InChI
InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H
InChIKey
ODOQKWUKLACHRO-UHFFFAOYSA-N
Synonyms
5-PHENYLDIPYRROMETHANE DTXSID60401973 RefChem:304682 DTXCID90352828 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond donors
2
Molar refractivity
68.97
TPSA
31.58

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
2.9
Consensus LogP
3.17
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-1.57

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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