![CAS 1176833-85-4 D-HoMocysteine, N-[(1,1-diMethylethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1176833-85-4.gif)
CAS RN: 1176833-85-4
D-HoMocysteine, N-[(1,1-diMethylethoxy)carbonyl]-
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.20260221 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1176833-85-4
- Purity/Analytical Methods: >99.0%
1176833-85-4 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylbutanoic acid
N-Boc-D,L-homocysteine | SCHEMBL2119738 | (tert-Butoxycarbonyl)homocysteine
Basic Information
CAS
1176833-85-4
Multi CAS
Yes
Molecular Formula
C9H17NO4S
Molecular Weight
235.300000
Exact Mass
235.087829
SMILES
CC(C)(C)OC(=O)N[C@H](CCS)C(=O)O
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(13)10-6(4-5-15)7(11)12/h6,15H,4-5H2,1-3H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKey
PQADCRYOPOVXDV-ZCFIWIBFSA-N
Synonyms
N-Boc-D,L-homocysteine
SCHEMBL2119738
(tert-Butoxycarbonyl)homocysteine
PQADCRYOPOVXDV-UHFFFAOYSA-N
2-tert-Butoxycarbonylamino-4-mercapto-butyric acid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.26
TPSA
75.63
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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