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CAS 174022-42-5 Bevirimat molecular structure lightbox
CAS RN: 174022-42-5

Bevirimat

Product Availability

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12 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 5mg / 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250929 100mg In stock Inquiry
Batchno.20250102 10mg In stock Inquiry
Batchno.20250412 1mg Out of stock Inquiry
Batchno.20250420 2.5mg In stock Inquiry
Batchno.20260424 25mg In stock Inquiry
Batchno.20250317 50mg In stock Inquiry
Batchno.20250124 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260420 100mg In stock Shanghai Inquiry
Batchno.20260220 250mg In stock Shanghai Inquiry
Batchno.20250411 25mg In stock Shanghai Inquiry
Batchno.20251118 50mg In stock Shanghai Inquiry
  • Product code: SSC-076385
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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: 0.25g
  • 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 174022-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

174022-42-5 / (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-carboxy-3-methylbutanoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Standard CAS: 174022-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174022-42-5
Multi CAS
No
Molecular Formula
C36H56O6
Molecular Weight
584.800000
Exact Mass
584.407690
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)O
InChI
InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
InChIKey
YJEJKUQEXFSVCJ-WRFMNRASSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
162.52
TPSA
100.9

LogP / Solubility

WLOGP
8.14
MLOGP
7.21
XLogP3
9.1
Consensus LogP
8.15
Log S (ESOL)
-8.2
Class (ESOL)
Insoluble
Log S (Ali)
-10.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.94
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-0.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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