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CAS 215050-11-6 1 3-DI-BOC-2-(2-HYDROXYETHYL)GUANIDINE molecular structure lightbox
CAS RN: 215050-11-6

1 3-DI-BOC-2-(2-HYDROXYETHYL)GUANIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-103087
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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: ≥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 215050-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

215050-11-6 / tert-butyl N-[N'-(2-hydroxyethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Standard CAS: 215050-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215050-11-6
Multi CAS
No
Molecular Formula
C13H25N3O5
Molecular Weight
303.350000
Exact Mass
303.179421
SMILES
CC(C)(C)OC(=O)NC(=NCCO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H25N3O5/c1-12(2,3)20-10(18)15-9(14-7-8-17)16-11(19)21-13(4,5)6/h17H,7-8H2,1-6H3,(H2,14,15,16,18,19)
InChIKey
NHRGPOQWQFSEOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
78.13
TPSA
109.25

LogP / Solubility

WLOGP
1.38
MLOGP
1.23
XLogP3
2.2
Consensus LogP
1.6
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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