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CAS 198904-31-3 Atazanavir molecular structure lightbox
CAS RN: 198904-31-3

Atazanavir

Product Availability

Choose a grade to view its available package options.

13 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 100mg In stock Shanghai Inquiry
Batchno.20250128 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250316 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251108 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250621 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 100mg In stock Inquiry
Batchno.20260605 10mg In stock Inquiry
Batchno.20250709 1g In stock Inquiry
Batchno.20260609 250mg In stock Inquiry
Batchno.20260623 25g In stock Inquiry
Batchno.20250207 50mg In stock Inquiry
Batchno.20250605 5g In stock Inquiry
  • Product code: SSC-093685
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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 198904-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

198904-31-3 / methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Standard CAS: 198904-31-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
198904-31-3
Multi CAS
No
Molecular Formula
C38H52N6O7
Molecular Weight
704.900000
Exact Mass
704.389748
SMILES
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
InChI
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
InChIKey
AXRYRYVKAWYZBR-GASGPIRDSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
18
Fraction Csp3
0.45
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
5
Molar refractivity
193.88
TPSA
171.22

LogP / Solubility

WLOGP
4.21
MLOGP
3.77
XLogP3
5.6
Consensus LogP
4.53
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.03

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
6

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H372 (66.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P273, P280, P305+P351+P338, P305+P354+P338, P317, P319, P337+P317, P391, and P501

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