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CAS 1638765-31-7 carbamic acid, n-[2-(5-pyrimidinyl, 2-chloro)ethyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1638765-31-7

carbamic acid, n-[2-(5-pyrimidinyl, 2-chloro)ethyl]-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-071395
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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 1638765-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1638765-31-7 / tert-butyl N-[2-(2-chloropyrimidin-5-yl)ethyl]carbamate

Standard CAS: 1638765-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638765-31-7
Multi CAS
No
Molecular Formula
C11H16ClN3O2
Molecular Weight
257.720000
Exact Mass
257.093105
SMILES
CC(C)(C)OC(=O)NCCC1=CN=C(N=C1)Cl
InChI
InChI=1S/C11H16ClN3O2/c1-11(2,3)17-10(16)13-5-4-8-6-14-9(12)15-7-8/h6-7H,4-5H2,1-3H3,(H,13,16)
InChIKey
OWPPJYGXOIOWPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.98
TPSA
64.11

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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