RefChem:387252
TL;DR: RefChem:387252 (CAS 74692-70-9) is a chemical compound with molecular formula C26H28Cl3N5O9 and molecular weight 659.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
Also Known As: [(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate|Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2-chloroethyl)-3-nitroso-, 5'-(p-nitrobenzoate)|2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)(nitroso)amino](hydroxy)methylidene}-5-O-(4-nitrobenzoyl)-D-glycero-pentofuranosylamine|2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)(nitroso)amino](hydroxy)methylidene}-5-O-(4-nitrobenzoyl)pentofuranosylamine|RefChem:387252
| Molecular Formula | C26H28Cl3N5O9 |
|---|---|
| Molecular Weight | 659.10 g/mol |
| LogP | 4.1751 |
| Topological Polar Surface Area | 162.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 659.0953 |
| Heavy Atoms | 43 |
| Complexity | 1267.9137 |
Chemical Identifiers
| CAS Number | 74692-70-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2OC3[C@H](OC(C3O2)NC(=O)N(CCCl)N=O)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(CCCl)CCCl |
Product Overview
RefChem:387252 (CAS 74692-70-9), with molecular formula C26H28Cl3N5O9 and molecular weight 659.10 g/mol. IUPAC: [(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of RefChem:387252
Property Insights of RefChem:387252
The XLogP value of 4.1751 indicates that RefChem:387252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.14 Ų indicates high polarity, suggesting RefChem:387252 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:387252 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:387252?
The CAS number of RefChem:387252 is 74692-70-9.
What is the molecular formula of RefChem:387252?
The molecular formula of RefChem:387252 is C26H28Cl3N5O9.
What is the molecular weight of RefChem:387252?
The molecular weight of RefChem:387252 is 659.10 g/mol.
Where can I buy RefChem:387252?
You can request a quote for RefChem:387252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387252?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.