CAS RN: 13665-13-9
Z-ORN(BOC)-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.20260611 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13665-13-9
- Purity/Analytical Methods: >99.0%
13665-13-9 / N-cyclohexylcyclohexanamine;(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoic acid
Basic Information
CAS
13665-13-9
Multi CAS
No
Molecular Formula
C30H49N3O6
Molecular Weight
547.700000
Exact Mass
547.362136
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C18H26N2O6.C12H23N/c1-18(2,3)26-16(23)19-11-7-10-14(15(21)22)20-17(24)25-12-13-8-5-4-6-9-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22);11-13H,1-10H2/t14-;/m0./s1
InChIKey
DZDMNVANCXRHHF-UQKRIMTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
151.54
TPSA
125.99
LogP / Solubility
WLOGP
5.91
MLOGP
5.24
XLogP3
5.91
Consensus LogP
5.69
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.33
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
-
-
-
-
6-methoxyquinoline-3-carbonitrile
- CAS RN: 13669-58-4
- Product Code: starshine_CAS13669-58-4
- Purity/Analytical method: >99.0%
