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CAS 105518-47-6 6-Carbamoyl-3,6,7,8-Tetrahydropyrrolo[3,2-E]Indole-2-Carboxylic Acid molecular structure lightbox
CAS RN: 105518-47-6

6-Carbamoyl-3,6,7,8-Tetrahydropyrrolo[3,2-E]Indole-2-Carboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-007242
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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: ≥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 105518-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

105518-47-6 / 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid

6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid | MFCD30185067 | 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid

Standard CAS: 105518-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105518-47-6
Multi CAS
No
Molecular Formula
C12H11N3O3
Molecular Weight
245.230000
Exact Mass
245.080041
SMILES
C1CN(C2=C1C3=C(C=C2)NC(=C3)C(=O)O)C(=O)N
InChI
InChI=1S/C12H11N3O3/c13-12(18)15-4-3-6-7-5-9(11(16)17)14-8(7)1-2-10(6)15/h1-2,5,14H,3-4H2,(H2,13,18)(H,16,17)
InChIKey
SYEVWAVDQJTJMV-UHFFFAOYSA-N
Synonyms
6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid MFCD30185067 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid 6-carbamoyl-3H,6H,7H,8H-pyrrolo[3,2-e]indole-2-carboxylic acid SCHEMBL887712

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
65.89
TPSA
99.42

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
0.7
Consensus LogP
1.06
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

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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