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CAS 61043-86-5 H-THR-SER-OH molecular structure lightbox
CAS RN: 61043-86-5

H-THR-SER-OH

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251211 100mg In stock Shanghai Inquiry
Batchno.20260304 1g In stock Shanghai Inquiry
Batchno.20260414 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250614 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS61043-86-5
  • Purity/Analytical Methods: >99.0%
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61043-86-5 / 2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoic acid

Standard CAS: 61043-86-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61043-86-5
Multi CAS
Yes
Molecular Formula
C7H14N2O5
Molecular Weight
206.200000
Exact Mass
206.090272
InChI
InChI=1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1
InChIKey
GXDLGHLJTHMDII-WISUUJSJSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
5
Molar refractivity
46.31
TPSA
132.88

LogP / Solubility

WLOGP
-2.74
MLOGP
-2.41
XLogP3
-4.9
Consensus LogP
-3.35
Log S (ESOL)
0.94
Class (ESOL)
Highly soluble
Log S (Ali)
0.73
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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