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CAS 1197160-66-9 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid molecular structure lightbox
CAS RN: 1197160-66-9

4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250920 1g In stock Tianjin Inquiry
Batchno.20250414 250mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-020404
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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: ≥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 1197160-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1197160-66-9 / 4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid

4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid | 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid | CHEMBL597824

Standard CAS: 1197160-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197160-66-9
Multi CAS
No
Molecular Formula
C25H27N7O5
Molecular Weight
505.500000
Exact Mass
505.207367
SMILES
C1COCCN1C2=NC(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)O)N5CCOCC5
InChI
InChI=1S/C25H27N7O5/c33-22(34)18-3-7-20(8-4-18)27-25(35)26-19-5-1-17(2-6-19)21-28-23(31-9-13-36-14-10-31)30-24(29-21)32-11-15-37-16-12-32/h1-8H,9-16H2,(H,33,34)(H2,26,27,35)
InChIKey
ZXONVJJRRBXWDX-UHFFFAOYSA-N
Synonyms
4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid CHEMBL597824 MFCD16875678 4-[[[[4-(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]amino]carbonyl]amino]benzoic acid

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
137.37
TPSA
142.04

LogP / Solubility

WLOGP
2.55
MLOGP
2.28
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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