Tmc-2A
TL;DR: Tmc-2A (CAS 195976-77-3) is a chemical compound with molecular formula C28H34N4O9 and molecular weight 570.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid
Also Known As: TMC-2A, Tmc 2a, TMC-2 A, 102736-EP2272841A1, 102736-EP2301936A1
| Molecular Formula | C28H34N4O9 |
|---|---|
| Molecular Weight | 570.23 g/mol |
| LogP | -0.0287 |
| Topological Polar Surface Area | 218.67 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.2326 |
| Heavy Atoms | 41 |
| Complexity | 1435.4287 |
Chemical Identifiers
| CAS Number | 195976-77-3 |
|---|---|
| SMILES | COC1=C(C=C2C[C@H](N(CC2=C1O)C(=O)[C@H](CC3=CNC4=CC=CC=C43)N)C(=O)N[C@@H](CC(CO)CO)C(=O)O)O |
Product Overview
Tmc-2A (CAS 195976-77-3), with molecular formula C28H34N4O9 and molecular weight 570.23 g/mol. IUPAC: (2S)-2-[[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid.
Chemical Property Profile of Tmc-2A
Property Insights of Tmc-2A
The XLogP value of -0.0287 indicates that Tmc-2A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.67 Ų indicates high polarity, suggesting Tmc-2A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tmc-2A has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tmc-2A?
The CAS number of Tmc-2A is 195976-77-3.
What is the molecular formula of Tmc-2A?
The molecular formula of Tmc-2A is C28H34N4O9.
What is the molecular weight of Tmc-2A?
The molecular weight of Tmc-2A is 570.23 g/mol.
Where can I buy Tmc-2A?
You can request a quote for Tmc-2A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tmc-2A?
Yes, KEHONG BIO provides custom synthesis services for Tmc-2A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.