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CAS 36499-49-7 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide molecular structure lightbox
CAS RN: 36499-49-7

3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100g In stock Inquiry
Batchno.20251115 1g In stock Inquiry
Batchno.20260322 25g In stock Inquiry
Batchno.20250608 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 100g Out of stock Inquiry
Batchno.20250617 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260226 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250602 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-143688
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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: 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 36499-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

36499-49-7 / 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one

Standard CAS: 36499-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36499-49-7
Multi CAS
No
Molecular Formula
C29H30N2O2
Molecular Weight
438.600000
Exact Mass
438.230728
InChI
InChI=1S/C29H30N2O2/c1-6-31(7-2)21-16-17-24(19(3)18-21)29(25-14-10-8-12-22(25)28(32)33-29)27-20(4)30(5)26-15-11-9-13-23(26)27/h8-18H,6-7H2,1-5H3
InChIKey
LCGJEUAHECYSFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
134.14
TPSA
34.47

LogP / Solubility

WLOGP
6.1
MLOGP
5.4
XLogP3
6.2
Consensus LogP
5.9
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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