[email protected]
CAS 115962-35-1 BOC-D-TIC-OH molecular structure lightbox
CAS RN: 115962-35-1

BOC-D-TIC-OH

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250605 1g In stock Inquiry
Batchno.20250505 5g In stock Inquiry
  • Product code: SSC-015820
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115962-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

115962-35-1 / (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

N-[3-Acetyl-4-(oxiranylmethoxy)phenyl]butyramide | N-(3-Acetyl-4-(oxiranylmethoxy)phenyl)butyramide | RefChem:826127

Standard CAS: 115962-35-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115962-35-1
Multi CAS
Yes
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKey
HFPVZPNLMJDJFB-GFCCVEGCSA-N
Synonyms
N-[3-Acetyl-4-(oxiranylmethoxy)phenyl]butyramide N-(3-Acetyl-4-(oxiranylmethoxy)phenyl)butyramide RefChem:826127 N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butanamide N-(3-ACETYL-4-(OXIRAN-2-YLMETHOXY)PHENYL)BUTYRAMIDE

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.35
TPSA
66.84

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.29
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us