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CAS 863971-44-2 (5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid molecular structure lightbox
CAS RN: 863971-44-2

(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid

Product Availability

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg In stock Inquiry
Batchno.20250218 25mg In stock Inquiry
Batchno.20260606 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260524 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250811 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260414 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250218 50mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250529 5g In stock Shanghai Inquiry
  • Product code: SSC-195401
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 863971-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Hong Kong Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry

863971-44-2 / (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid

Standard CAS: 863971-44-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
863971-44-2
Multi CAS
Yes
Molecular Formula
C36H51N3O7
Molecular Weight
637.800000
Exact Mass
637.372701
InChI
InChI=1S/C36H51N3O7/c1-10-23(6)33(29(45-9)19-30(40)41)38(7)35(43)31(21(2)3)37-34(42)32(22(4)5)39(8)36(44)46-20-28-26-17-13-11-15-24(26)25-16-12-14-18-27(25)28/h11-18,21-23,28-29,31-33H,10,19-20H2,1-9H3,(H,37,42)(H,40,41)/t23-,29+,31-,32-,33-/m0/s1
InChIKey
SMVBIYSFDNRJJI-FCUBIXSHSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
2
Molar refractivity
177.29
TPSA
125.48

LogP / Solubility

WLOGP
5.4
MLOGP
4.8
XLogP3
6
Consensus LogP
5.4
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6.5

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