[email protected]
CAS 1201902-80-8 MLN9708 molecular structure lightbox
CAS RN: 1201902-80-8

MLN9708

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 100mg In stock Shanghai Inquiry
Batchno.20260527 10mg In stock Shanghai Inquiry
Batchno.20250203 1g In stock Shanghai Inquiry
Batchno.20250428 250mg In stock Shanghai Inquiry
Batchno.20260629 25mg In stock Shanghai Inquiry
Batchno.20260518 50mg In stock Shanghai Inquiry
Batchno.20250227 5mg In stock Shanghai Inquiry
  • Product code: SSC-021002
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: 0.25g
  • 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 1201902-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1201902-80-8 / 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid

MLN9708 | MLN-9708 | DTXSID10152721

Standard CAS: 1201902-80-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1201902-80-8
Multi CAS
Yes
Molecular Formula
C20H23BCl2N2O9
Molecular Weight
517.100000
Exact Mass
516.087366
SMILES
B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
InChIKey
YTXSYWAKVMZICI-PVCZSOGJSA-N
Synonyms
MLN9708 MLN-9708 DTXSID10152721 RefChem:925994 DTXCID7075212

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
120.35
TPSA
168.33

LogP / Solubility

WLOGP
1.54
MLOGP
1.4
XLogP3
1.54
Consensus LogP
1.49
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us