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CAS 71404-98-3 (R)-2-((tert-Butoxycarbonyl)amino)-3-chloropropanoic acid molecular structure lightbox
CAS RN: 71404-98-3

(R)-2-((tert-Butoxycarbonyl)amino)-3-chloropropanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-180997
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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: 5g
  • 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 71404-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

71404-98-3 / (2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 71404-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71404-98-3
Multi CAS
Yes
Molecular Formula
C8H14CLNO4
Molecular Weight
223.650000
Exact Mass
223.061136
InChI
InChI=1S/C8H14ClNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1
InChIKey
NMRCVEILBKVWIK-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.51
TPSA
75.63

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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