[email protected]
CAS 1004316-88-4 Cobicistat molecular structure lightbox
CAS RN: 1004316-88-4

Cobicistat

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 5mg / 10mg / 50mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 10mg In stock Inquiry
Batchno.20250225 50mg Out of stock Inquiry
Batchno.20260423 5mg In stock Inquiry
  • Product code: SSC-001012
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: 0.1g
  • Available purity: ≥95%
  • 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 1004316-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1004316-88-4 / 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

9R-Cobicistat | SCHEMBL2736053 | HMS3651B08

Standard CAS: 1004316-88-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1004316-88-4
Multi CAS
Yes
Molecular Formula
C40H53N7O5S2
Molecular Weight
776.000000
Exact Mass
775.354960
SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5
InChI
InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
InChIKey
ZCIGNRJZKPOIKD-CQXVEOKZSA-N
Synonyms
9R-Cobicistat SCHEMBL2736053 HMS3651B08 HMS5081D21 BSB46382

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
22
Fraction Csp3
0.47
Rotatable bonds
19
H-bond acceptors
10
H-bond donors
3
Molar refractivity
212.55
TPSA
138.02

LogP / Solubility

WLOGP
6
MLOGP
5.35
XLogP3
5.7
Consensus LogP
5.68
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-10.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.96
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us