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CAS 630128-01-7 Benzyl-2-N-BOC-5-carbomethoxy-4-oxo-pentanate molecular structure lightbox
CAS RN: 630128-01-7

Benzyl-2-N-BOC-5-carbomethoxy-4-oxo-pentanate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 100mg / 250mg / 500mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-172512
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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, 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 630128-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

630128-01-7 / 1-O-benzyl 6-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanedioate

Standard CAS: 630128-01-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
630128-01-7
Multi CAS
Yes
Molecular Formula
C19H25NO7
Molecular Weight
379.400000
Exact Mass
379.163102
InChI
InChI=1S/C19H25NO7/c1-19(2,3)27-18(24)20-15(10-14(21)11-16(22)25-4)17(23)26-12-13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKey
MMMPGIMOTPAINZ-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.65
TPSA
108

LogP / Solubility

WLOGP
2.15
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly 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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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