N-Hydroxy Melagatran
TL;DR: N-Hydroxy Melagatran (CAS 192939-72-3) is a chemical compound with molecular formula C22H31N5O5 and molecular weight 445.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetic acid
Also Known As: N-Hydroxy Melagatran, Hydroxymelagatran, Melagatran Hydroxyamidine, J1.860.789A, 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetic acid
| Molecular Formula | C22H31N5O5 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 0.6213 |
| Topological Polar Surface Area | 157.35 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.2325 |
| Heavy Atoms | 32 |
| Complexity | 850.77246 |
Chemical Identifiers
| CAS Number | 192939-72-3 |
|---|---|
| SMILES | C1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N)NCC(=O)O |
Product Overview
N-Hydroxy Melagatran (CAS 192939-72-3), with molecular formula C22H31N5O5 and molecular weight 445.23 g/mol. IUPAC: 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetic acid.
Chemical Property Profile of N-Hydroxy Melagatran
Property Insights of N-Hydroxy Melagatran
The XLogP value of 0.6213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Hydroxy Melagatran. The TPSA of 157.35 Ų indicates high polarity, suggesting N-Hydroxy Melagatran may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Hydroxy Melagatran has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Hydroxy Melagatran?
The CAS number of N-Hydroxy Melagatran is 192939-72-3.
What is the molecular formula of N-Hydroxy Melagatran?
The molecular formula of N-Hydroxy Melagatran is C22H31N5O5.
What is the molecular weight of N-Hydroxy Melagatran?
The molecular weight of N-Hydroxy Melagatran is 445.23 g/mol.
Where can I buy N-Hydroxy Melagatran?
You can request a quote for N-Hydroxy Melagatran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Hydroxy Melagatran?
Yes, KEHONG BIO provides custom synthesis services for N-Hydroxy Melagatran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.