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CAS 1009119-64-5 Daclatasvir molecular structure lightbox
CAS RN: 1009119-64-5

Daclatasvir

Product Availability

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12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 100mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250730 1g Out of stock 8-10 business days Inquiry
Batchno.20250806 500mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260121 1g In stock Shanghai Inquiry
Batchno.20250409 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250216 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 100mg In stock Inquiry
Batchno.20260323 10mg In stock Inquiry
Batchno.20260101 1g In stock Inquiry
Batchno.20251105 250mg In stock Inquiry
Batchno.20250515 50mg In stock Inquiry
  • Product code: SSC-001669
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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: 1g
  • Available purity: ≥98%
  • 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 1009119-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

1009119-64-5 / methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Daclatasvir | BMS-790052 | BMS790052

Standard CAS: 1009119-64-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1009119-64-5
Multi CAS
Yes
Molecular Formula
C40H50N8O6
Molecular Weight
738.900000
Exact Mass
738.385331
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1
InChIKey
FKRSSPOQAMALKA-CUPIEXAXSA-N
Synonyms
Daclatasvir BMS-790052 BMS790052 BMS 790052 EBP 883

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
22
Fraction Csp3
0.45
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
4
Molar refractivity
202.75
TPSA
174.64

LogP / Solubility

WLOGP
6.22
MLOGP
5.54
XLogP3
5.1
Consensus LogP
5.62
Log S (ESOL)
-7.92
Class (ESOL)
Insoluble
Log S (Ali)
-10.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.95
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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