CAS RN: 151004-88-5
(R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid
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.20250410 | 50mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS151004-88-5
- Purity/Analytical Methods: >99.0%
151004-88-5 / (1R)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Basic Information
CAS
151004-88-5
Multi CAS
No
Molecular Formula
C18H17NO4
Molecular Weight
311.300000
Exact Mass
311.115758
SMILES
C1CN([C@H](C2=CC=CC=C21)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H17NO4/c20-17(21)16-15-9-5-4-8-14(15)10-11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m1/s1
InChIKey
ACQYZSFXPXXIHL-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.86
TPSA
66.84
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID
- CAS RN: 151004-92-1
- Product Code: SSC-060889
-
(R)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID
- CAS RN: 151004-93-2
- Product Code: SSC-060890
-
(S)-2-Boc-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
- CAS RN: 151004-94-3
- Product Code: SSC-060891
-
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-
- CAS RN: 151004-96-5
- Product Code: SSC-060892
-
biotin-cysteine
- CAS RN: 151009-85-7
- Product Code: starshine_CAS151009-85-7
- Purity/Analytical method: >99.0%
-
3-(4-BROMOBENZYL)-2-BUTYL-4-CHLORO-1H-IMIDAZOL-5-YLMETHANOL
- CAS RN: 151012-31-6
- Product Code: starshine_CAS151012-31-6
- Purity/Analytical method: >99.0%
