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CAS 1009092-91-4 tert-butyl(4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate molecular structure lightbox
CAS RN: 1009092-91-4

tert-butyl(4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-001658
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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: 1g
  • Available purity: ≥95%
  • 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 1009092-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1009092-91-4 / tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate

tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate | tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate | SCHEMBL9962981

Standard CAS: 1009092-91-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1009092-91-4
Multi CAS
Yes
Molecular Formula
C17H25NO4
Molecular Weight
307.400000
Exact Mass
307.178358
SMILES
CC1(N(C(C(O1)C2=CC=CC=C2)CO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C17H25NO4/c1-16(2,3)22-15(20)18-13(11-19)14(21-17(18,4)5)12-9-7-6-8-10-12/h6-10,13-14,19H,11H2,1-5H3
InChIKey
LBTFCAQHUDISGT-UHFFFAOYSA-N
Synonyms
tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate SCHEMBL9962981 [(4R,5R)-3-Boc-2,2-dimethyl-5-phenyloxazolidin-4-yl]methanol MFCD30803440

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.29
TPSA
59

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
2.4
Consensus LogP
2.74
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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