TA-993 maleate
TL;DR: TA-993 maleate (CAS 150591-06-3) is a chemical compound with molecular formula C27H32N2O7S and molecular weight 528.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;[5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Also Known As: TA-993 maleate, TA993 maleate, TA993, TA-993, TA 993, (Z)-But-2-enedioic acid;[5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate, 5-(2-(dimethylamino)ethyl)-8-methyl-4-oxo-2-(p-tolyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate maleate
| Molecular Formula | C27H32N2O7S |
|---|---|
| Molecular Weight | 528.19 g/mol |
| LogP | 3.68854 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.193 |
| Heavy Atoms | 37 |
| Complexity | 1145.8446 |
Chemical Identifiers
| CAS Number | 150591-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC(=O)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
TA-993 maleate (CAS 150591-06-3), with molecular formula C27H32N2O7S and molecular weight 528.19 g/mol. IUPAC: (Z)-but-2-enedioic acid;[5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.
Chemical Property Profile of TA-993 maleate
Property Insights of TA-993 maleate
The XLogP value of 3.68854 indicates that TA-993 maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for TA-993 maleate. Following Lipinski's Rule of Five, TA-993 maleate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TA-993 maleate?
The CAS number of TA-993 maleate is 150591-06-3.
What is the molecular formula of TA-993 maleate?
The molecular formula of TA-993 maleate is C27H32N2O7S.
What is the molecular weight of TA-993 maleate?
The molecular weight of TA-993 maleate is 528.19 g/mol.
Where can I buy TA-993 maleate?
You can request a quote for TA-993 maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TA-993 maleate?
Yes, KEHONG BIO provides custom synthesis services for TA-993 maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.