CAS RN: 1213135-25-1
BOC-L-THYRONINE
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.20260529 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213135-25-1
- Purity/Analytical Methods: >99.0%
1213135-25-1 / (2S)-3-[4-(4-hydroxyphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-DL-thyronine | 3-[4-(4-hydroxyphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | MFCD02682676
Basic Information
CAS
1213135-25-1
Multi CAS
Yes
Molecular Formula
C20H23NO6
Molecular Weight
373.400000
Exact Mass
373.152537
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C20H23NO6/c1-20(2,3)27-19(25)21-17(18(23)24)12-13-4-8-15(9-5-13)26-16-10-6-14(22)7-11-16/h4-11,17,22H,12H2,1-3H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChIKey
RUQLVQSODALTBB-KRWDZBQOSA-N
Synonyms
Boc-DL-thyronine
3-[4-(4-hydroxyphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MFCD02682676
AKOS015836993
2-((tert-Butoxycarbonyl)amino)-3-(4-(4-hydroxyphenoxy)phenyl)propanoic acid
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
99.12
TPSA
105.09
LogP / Solubility
WLOGP
3.7
MLOGP
3.28
XLogP3
3
Consensus LogP
3.33
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
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)
-2.37
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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