[email protected]
CAS 1120-77-0 D-HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1120-77-0

D-HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1120-77-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1120-77-0 / (3R)-3-aminothiolan-2-one;hydrochloride

HCTL hydrochloride | 5D8467GAGD | Homocysteine thiolactone hydrochloride, DL-

Standard CAS: 1120-77-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1120-77-0
Multi CAS
Yes
Molecular Formula
C4H8ClNOS
Molecular Weight
153.630000
Exact Mass
153.001513
SMILES
C1CSC(=O)[C@@H]1N.Cl
InChI
InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m1./s1
InChIKey
ZSEGSUBKDDEALH-AENDTGMFSA-N
Synonyms
HCTL hydrochloride 5D8467GAGD Homocysteine thiolactone hydrochloride, DL- NSC-22879 homocysteine thiolactone hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.31
TPSA
43.09

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us