[email protected]
CAS 112332-97-5 1H-INDOLE-3-CARBOXYLIC ACID,6-HYDROXY-,METHYL ESTER molecular structure lightbox
CAS RN: 112332-97-5

1H-INDOLE-3-CARBOXYLIC ACID,6-HYDROXY-,METHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-012790
GET A QUOTE
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
Request Bulk Quote

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 112332-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

112332-97-5 / methyl 6-hydroxy-1H-indole-3-carboxylate

Methyl 6-hydroxy-1H-indole-3-carboxylate | RefChem:356326 | 1h-indole-3-carboxylic acid,6-hydroxy-,methyl ester

Standard CAS: 112332-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
112332-97-5
Multi CAS
No
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
SMILES
COC(=O)C1=CNC2=C1C=CC(=C2)O
InChI
InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-5,11-12H,1H3
InChIKey
OYZMJHNFWMBBQC-UHFFFAOYSA-N
Synonyms
Methyl 6-hydroxy-1H-indole-3-carboxylate RefChem:356326 1h-indole-3-carboxylic acid,6-hydroxy-,methyl ester MFCD11617113 Methyl6-hydroxy-1H-indole-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.3
TPSA
62.32

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
2.2
Consensus LogP
1.77
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.71

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us