CAS RN: 1219810-16-8

RSL3

Product Availability

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14 package records14 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260417 10mg In stock Shanghai Inquiry
Batchno.20251009 1g In stock Shanghai Inquiry
Batchno.20260324 1mg / 10mg / 50mg / 100mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250804 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250701 25mg In stock Shanghai Inquiry
Batchno.20251002 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250107 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 100mg In stock Inquiry
Batchno.20250824 10mg In stock Inquiry
Batchno.20260119 1mg In stock Inquiry
Batchno.20251002 25mg In stock Inquiry
Batchno.20250920 50mg In stock Inquiry
Batchno.20250910 5mg In stock Inquiry
  • Product code: SSC-024831
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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 1219810-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1219810-16-8 / methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-methoxycarbonylphenyl)-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole-3-carboxylate

Standard CAS: 1219810-16-8 Multi CAS: No

Basic Information

CAS
1219810-16-8
Multi CAS
No
Molecular Formula
C23H23ClN2O5
Molecular Weight
442.900000
Exact Mass
442.129550
SMILES
COC(=O)[C@H]1CC2C([C@@H](N1C(=O)CCl)C3=CC=C(C=C3)C(=O)OC)NC4=CC=CC=C24
InChI
InChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m1/s1
InChIKey
TXJZRSRTYPUYRW-NQIIRXRSSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
115.1
TPSA
84.94

LogP / Solubility

WLOGP
3.1
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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