CAS RN: 92916-48-8
BOC-TRP(MTS)-OH DCHA
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-206843
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
92916-48-8 / N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid
Basic Information
CAS
92916-48-8
Multi CAS
Yes
Molecular Formula
C37H53N3O6S
Molecular Weight
667.900000
Exact Mass
667.365508
InChI
InChI=1S/C25H30N2O6S.C12H23N/c1-15-11-16(2)22(17(3)12-15)34(31,32)27-14-18(19-9-7-8-10-21(19)27)13-20(23(28)29)26-24(30)33-25(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-12,14,20H,13H2,1-6H3,(H,26,30)(H,28,29);11-13H,1-10H2/t20-;/m0./s1
InChIKey
KFHJVPFHYDLKGK-BDQAORGHSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
15
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
186.55
TPSA
126.73
LogP / Solubility
WLOGP
7.57
MLOGP
6.71
XLogP3
7.57
Consensus LogP
7.28
Log S (ESOL)
-8.46
Class (ESOL)
Insoluble
Log S (Ali)
-10.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.24
Class (SILICOS-IT)
Insoluble
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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