CAS RN: 1629125-65-0
IDO-IN-4
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251209 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260614 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250812 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250301 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250606 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250120 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260611 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1629125-65-0
- Purity/Analytical Methods: >99.0%
1629125-65-0 / cis-(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]cyclopropane-1-carboxylic acid
Basic Information
CAS
1629125-65-0
Multi CAS
No
Molecular Formula
C26H35N3O3
Molecular Weight
437.600000
Exact Mass
437.267842
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[C@H]3C[C@H]3C(=O)O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C26H35N3O3/c1-16(2)14-29(15-17(3)4)24-11-8-19(21-13-22(21)25(30)31)12-23(24)28-26(32)27-20-9-6-18(5)7-10-20/h6-12,16-17,21-22H,13-15H2,1-5H3,(H,30,31)(H2,27,28,32)/t21-,22-/m1/s1
InChIKey
VZYCPKLOYXSKAB-FGZHOGPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
130.64
TPSA
81.67
LogP / Solubility
WLOGP
5.95
MLOGP
5.26
XLogP3
5.3
Consensus LogP
5.5
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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