MDL 74695
TL;DR: MDL 74695 (CAS 167486-23-9) is a chemical compound with molecular formula C41H53F2N5O8 and molecular weight 781.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: MDL 74695, MDL 74,695, benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate, 2-Oxa-5,10,13-triazatetradecan-14-oic acid, 7,7-difluoro-4,12-bis(1-methylethyl)-9-((4-(2-(4-morpholinyl)ethoxy)phenyl)methyl)-6,8,11-trioxo-1-(3-pyridinyl)-, phenylmethyl ester, (4R-(4R*,9S*,12S*))-, 2-Oxa-5,10,13-triazatetradecan-14-oic acid, 7,7-difluoro-4,12-bis(1-methylethyl)-9-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-6,8,11-trioxo-1-(3-pyridinyl)-, phenylmethyl ester, [4R-(4R*,9S*,12S*)]-
| Molecular Formula | C41H53F2N5O8 |
|---|---|
| Molecular Weight | 781.39 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 781.3862 |
| Heavy Atoms | 56 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 167486-23-9 |
|---|---|
| SMILES | CC(C)[C@H](COCC1=CN=CC=C1)NC(=O)C(C(=O)[C@H](CC2=CC=C(C=C2)OCCN3CCOCC3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)(F)F |
| InChIKey | JUZBHZAPSATRCS-KVBYWJEESA-N |
Product Overview
MDL 74695 (CAS 167486-23-9), with molecular formula C41H53F2N5O8 and molecular weight 781.39 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of MDL 74695
Property Insights of MDL 74695
The XLogP value of 5.4 indicates that MDL 74695 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting MDL 74695 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MDL 74695 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MDL 74695?
The CAS number of MDL 74695 is 167486-23-9.
What is the molecular formula of MDL 74695?
The molecular formula of MDL 74695 is C41H53F2N5O8.
What is the molecular weight of MDL 74695?
The molecular weight of MDL 74695 is 781.39 g/mol.
Where can I buy MDL 74695?
You can request a quote for MDL 74695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDL 74695?
Yes, KEHONG BIO provides custom synthesis services for MDL 74695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.