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CAS 1379546-46-9 CarbaMic acid, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1379546-46-9

CarbaMic acid, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-, 1,1-diMethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-047888
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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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1379546-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1379546-46-9 / tert-butyl N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamate

Standard CAS: 1379546-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1379546-46-9
Multi CAS
No
Molecular Formula
C13H18ClNO3
Molecular Weight
271.740000
Exact Mass
271.097521
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-11(8-16)9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKey
SWYMATJMMKRYJJ-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.65
TPSA
58.56

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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