C41H33ClN3O9P
TL;DR: C41H33ClN3O9P (CAS 79527-01-8) is a chemical compound with molecular formula C41H33ClN3O9P and molecular weight 777.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate
Also Known As: 2,4,6-Trifluorobenzoyl chloride, 3'-Cytidylic acid, N-benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)-, mono(2-chlorophenyl) ester, [(3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate, 4-(Benzoylimino)-1-[(4xi)-3-O-[(2-chlorophenoxy)(hydroxy)phosphoryl]-2-deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)-beta-D-glycero-pentofuranosyl]-1,4-dihydropyrimidin-2-ol, 4-(Benzoylimino)-1-{3-O-[(2-chlorophenoxy)(hydroxy)phosphoryl]-2-deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)pentofuranosyl}-1,4-dihydropyrimidin-2-ol
| Molecular Formula | C41H33ClN3O9P |
|---|---|
| Molecular Weight | 777.16 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 777.1643 |
| Heavy Atoms | 55 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 79527-01-8 |
|---|---|
| SMILES | C1[C@@H](C(O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC4(C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7)OP(=O)(O)OC8=CC=CC=C8Cl |
| InChIKey | QYAXWLSRSLJKPU-RPWNLYHOSA-N |
Product Overview
C41H33ClN3O9P (CAS 79527-01-8), with molecular formula C41H33ClN3O9P and molecular weight 777.16 g/mol. IUPAC: [(3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate.
Chemical Property Profile of C41H33ClN3O9P
Property Insights of C41H33ClN3O9P
The XLogP value of 6.3 indicates that C41H33ClN3O9P is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting C41H33ClN3O9P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C41H33ClN3O9P has 2 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 C41H33ClN3O9P?
The CAS number of C41H33ClN3O9P is 79527-01-8.
What is the molecular formula of C41H33ClN3O9P?
The molecular formula of C41H33ClN3O9P is C41H33ClN3O9P.
What is the molecular weight of C41H33ClN3O9P?
The molecular weight of C41H33ClN3O9P is 777.16 g/mol.
Where can I buy C41H33ClN3O9P?
You can request a quote for C41H33ClN3O9P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C41H33ClN3O9P?
Yes, KEHONG BIO provides custom synthesis services for C41H33ClN3O9P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.