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CAS 214047-00-4 (2S,5S,8S,11S,14S)-5,14-Bis(4-aminobutyl)-8,11-bis((R)-1-hydroxyethyl)-2-(hydroxymethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahentriacontan-1-oic acid molecular structure lightbox
CAS RN: 214047-00-4

(2S,5S,8S,11S,14S)-5,14-Bis(4-aminobutyl)-8,11-bis((R)-1-hydroxyethyl)-2-(hydroxymethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahentriacontan-1-oic acid

Product Availability

Choose a grade to view its available package options.

8 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 100mg In stock Shanghai Inquiry
Batchno.20260311 1g Out of stock 5-7 business days Inquiry
Batchno.20250529 250mg In stock Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260209 100mg Out of stock Inquiry
Batchno.20260329 1g In stock Shanghai Inquiry
Batchno.20251207 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260601 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250910 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-102624
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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: >97%
  • 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 214047-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry

214047-00-4 / (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid

Standard CAS: 214047-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214047-00-4
Multi CAS
No
Molecular Formula
C39H75N7O10
Molecular Weight
802.100000
Exact Mass
801.557542
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C39H75N7O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32(50)42-29(21-17-19-24-40)36(52)45-34(28(3)49)38(54)46-33(27(2)48)37(53)43-30(22-18-20-25-41)35(51)44-31(26-47)39(55)56/h27-31,33-34,47-49H,4-26,40-41H2,1-3H3,(H,42,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,55,56)/t27-,28-,29+,30+,31+,33+,34+/m1/s1
InChIKey
WSGCRSMLXFHGRM-DEVHWETNSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Fraction Csp3
0.85
Rotatable bonds
35
H-bond acceptors
11
H-bond donors
11
Molar refractivity
213.86
TPSA
295.53

LogP / Solubility

WLOGP
0.99
MLOGP
0.94
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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