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CAS 99-16-1 ALLANTOIC ACID molecular structure lightbox
CAS RN: 99-16-1

ALLANTOIC ACID

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251008 100mg In stock Inquiry
Batchno.20250303 10mg In stock Inquiry
Batchno.20250410 25mg In stock Inquiry
Batchno.20250130 50mg In stock Inquiry
Batchno.20250409 5mg In stock Inquiry
  • Product code: SSC-212918
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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: 0.1g
  • 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 99-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry

99-16-1 / 2,2-bis(carbamoylamino)acetic acid

Standard CAS: 99-16-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
99-16-1
Multi CAS
Yes
Molecular Formula
C4H8N4O4
Molecular Weight
176.130000
Exact Mass
176.054555
InChI
InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChIKey
NUCLJNSWZCHRKL-UHFFFAOYSA-N

Physical Properties

Melting Point
180 - 181 °C
Physical Description
Solid; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
5
Molar refractivity
36.86
TPSA
147.54

LogP / Solubility

WLOGP
-2.27
MLOGP
-2
XLogP3
-2.6
Consensus LogP
-2.29
Log S (ESOL)
0.69
Class (ESOL)
Highly soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.72
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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