![CAS 1009715-74-5 N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1009715-74-5.gif)
CAS RN: 1009715-74-5
N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1009715-74-5
- Purity/Analytical Methods: >99.0%
1009715-74-5 / 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
Methionine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- | N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine | Methionine,N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]-
Basic Information
CAS
1009715-74-5
Multi CAS
Yes
Molecular Formula
C17H18ClNO5S2
Molecular Weight
415.900000
Exact Mass
415.031493
SMILES
CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2Cl
InChI
InChI=1S/C17H18ClNO5S2/c1-25-11-10-15(17(20)21)19-26(22,23)13-8-6-12(7-9-13)24-16-5-3-2-4-14(16)18/h2-9,15,19H,10-11H2,1H3,(H,20,21)
InChIKey
VVLBKESFOSFQRN-UHFFFAOYSA-N
Synonyms
Methionine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]-
N-[4-(2-Chlorophenoxy)phenylsulfonyl]-S-MethylhoMocysteine
Methionine,N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]-
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
102.71
TPSA
92.7
LogP / Solubility
WLOGP
3.62
MLOGP
3.21
XLogP3
3.7
Consensus LogP
3.51
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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)
-2.69
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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- Product Code: starshine_CAS1009817-63-3
- Purity/Analytical method: >99.0%
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