[email protected]
CAS 229614-05-5 (1S,2S,3R,4R)-Methyl 3-((R)-1-acetaMido-2-ethylbutyl)-4-(tert-butoxycarbonylaMino)-2-hydroxycyclopentanecarboxylate molecular structure lightbox
CAS RN: 229614-05-5

(1S,2S,3R,4R)-Methyl 3-((R)-1-acetaMido-2-ethylbutyl)-4-(tert-butoxycarbonylaMino)-2-hydroxycyclopentanecarboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-111632
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: 1g
  • 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 229614-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

229614-05-5 / methyl (1S,2S,3R,4R)-3-(1-acetamido-2-ethylbutyl)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

Standard CAS: 229614-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
229614-05-5
Multi CAS
No
Molecular Formula
C20H36N2O6
Molecular Weight
400.500000
Exact Mass
400.257337
SMILES
CCC(CC)C([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C
InChI
InChI=1S/C20H36N2O6/c1-8-12(9-2)16(21-11(3)23)15-14(22-19(26)28-20(4,5)6)10-13(17(15)24)18(25)27-7/h12-17,24H,8-10H2,1-7H3,(H,21,23)(H,22,26)
InChIKey
YMZFCNQNTWLIEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.85
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
104.45
TPSA
113.96

LogP / Solubility

WLOGP
1.99
MLOGP
1.78
XLogP3
2.6
Consensus LogP
2.12
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us