![CAS 1008647-74-2 LEUCINE, N-[[4-(2-METHOXYPHENOXY)PHENYL]SULFONYL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6789345.gif)
CAS RN: 1008647-74-2
LEUCINE, N-[[4-(2-METHOXYPHENOXY)PHENYL]SULFONYL]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250419 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1008647-74-2
- Purity/Analytical Methods: >99.0%
1008647-74-2 / 2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylpentanoic acid
((4-(2-methoxyphenoxy)phenyl)sulfonyl)leucine | N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-DL-leucine | Leucine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]-
Basic Information
CAS
1008647-74-2
Multi CAS
Yes
Molecular Formula
C19H23NO6S
Molecular Weight
393.500000
Exact Mass
393.124609
SMILES
CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2OC
InChI
InChI=1S/C19H23NO6S/c1-13(2)12-16(19(21)22)20-27(23,24)15-10-8-14(9-11-15)26-18-7-5-4-6-17(18)25-3/h4-11,13,16,20H,12H2,1-3H3,(H,21,22)
InChIKey
JBEFGVKJNHLKKB-UHFFFAOYSA-N
Synonyms
((4-(2-methoxyphenoxy)phenyl)sulfonyl)leucine
N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-DL-leucine
Leucine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]-
N-([4-(2-Methoxyphenoxy)phenyl]sulfonyl)leucine
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylpentanoic acid
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.71
TPSA
101.93
LogP / Solubility
WLOGP
3.27
MLOGP
2.9
XLogP3
3.7
Consensus LogP
3.29
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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