Carotegrast Methyl
TL;DR: Carotegrast Methyl (CAS 401905-67-7) is a chemical compound with molecular formula C28H26Cl2N4O5 and molecular weight 568.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
Also Known As: Carotegrast methyl, Carotegrast, Carogra, Carogra (TN), yl]phenyl]propanoate
| Molecular Formula | C28H26Cl2N4O5 |
|---|---|
| Molecular Weight | 568.13 g/mol |
| LogP | 3.5763 |
| Topological Polar Surface Area | 102.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.12805 |
| Heavy Atoms | 39 |
| Complexity | 1673.5002 |
Chemical Identifiers
| CAS Number | 401905-67-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl |
Product Overview
Carotegrast Methyl (CAS 401905-67-7), with molecular formula C28H26Cl2N4O5 and molecular weight 568.13 g/mol. IUPAC: methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate.
Chemical Property Profile of Carotegrast Methyl
Property Insights of Carotegrast Methyl
The XLogP value of 3.5763 indicates that Carotegrast Methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Carotegrast Methyl. Following Lipinski's Rule of Five, Carotegrast Methyl has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carotegrast Methyl?
The CAS number of Carotegrast Methyl is 401905-67-7.
What is the molecular formula of Carotegrast Methyl?
The molecular formula of Carotegrast Methyl is C28H26Cl2N4O5.
What is the molecular weight of Carotegrast Methyl?
The molecular weight of Carotegrast Methyl is 568.13 g/mol.
Where can I buy Carotegrast Methyl?
You can request a quote for Carotegrast Methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carotegrast Methyl?
Yes, KEHONG BIO provides custom synthesis services for Carotegrast Methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.