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CAS 127512-29-2 DODAP molecular structure lightbox
CAS RN: 127512-29-2

DODAP

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250105 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
Batchno.20260629 1g In stock Shanghai Inquiry
Batchno.20260226 250mg In stock Shanghai Inquiry
Batchno.20260422 5g In stock Shanghai Inquiry
  • Product code: SSC-035040
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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: ≥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 127512-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

127512-29-2 / [3-(dimethylamino)-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

Standard CAS: 127512-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127512-29-2
Multi CAS
No
Molecular Formula
C41H77NO4
Molecular Weight
648.100000
Exact Mass
647.585260
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H77NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42(3)4)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,39H,5-18,23-38H2,1-4H3/b21-19-,22-20-
InChIKey
NYDLOCKCVISJKK-WRBBJXAJSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.85
Rotatable bonds
35
H-bond acceptors
5
Molar refractivity
198.3
TPSA
55.84

LogP / Solubility

WLOGP
12.08
MLOGP
10.68
XLogP3
15.1
Consensus LogP
12.62
Log S (ESOL)
-9.16
Class (ESOL)
Insoluble
Log S (Ali)
-13.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.9

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
4.5

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