三碘甲状腺氨酸硫酸酯
TL;DR: 三碘甲状腺氨酸硫酸酯 (CAS 31135-55-4) is a chemical compound with molecular formula C15H12I3NO7S and molecular weight 730.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三碘甲状腺氨酸硫酸酯
(2S)-2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid
Also Known As: triiodothyronine sulfate, Liothyronine Sulfate, T3 Sulfate, L-T3 sulfate, Triiodothyronine sulfuric ester
| Molecular Formula | C15H12I3NO7S |
|---|---|
| Molecular Weight | 730.75 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 730.7469 |
| Heavy Atoms | 27 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 31135-55-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)OS(=O)(=O)O |
| InChIKey | XBQYQXVJBNDCGY-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三碘甲状腺氨酸硫酸酯 (CAS 31135-55-4), with molecular formula C15H12I3NO7S and molecular weight 730.75 g/mol. IUPAC: (2S)-2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid.
Chemical Property Profile of 三碘甲状腺氨酸硫酸酯
Property Insights of 三碘甲状腺氨酸硫酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三碘甲状腺氨酸硫酸酯. The TPSA of 145.0 Ų indicates high polarity, suggesting 三碘甲状腺氨酸硫酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三碘甲状腺氨酸硫酸酯 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三碘甲状腺氨酸硫酸酯?
The CAS number of 三碘甲状腺氨酸硫酸酯 is 31135-55-4.
What is the molecular formula of 三碘甲状腺氨酸硫酸酯?
The molecular formula of 三碘甲状腺氨酸硫酸酯 is C15H12I3NO7S.
What is the molecular weight of 三碘甲状腺氨酸硫酸酯?
The molecular weight of 三碘甲状腺氨酸硫酸酯 is 730.75 g/mol.
Where can I buy 三碘甲状腺氨酸硫酸酯?
You can request a quote for 三碘甲状腺氨酸硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三碘甲状腺氨酸硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三碘甲状腺氨酸硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.