RefChem:327797
TL;DR: RefChem:327797 (CAS 41363-21-7) is a chemical compound with molecular formula C19H20N3O6P and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenyl]carbamoyloxy]benzoate
Also Known As: 5-20-01-00111 (Beilstein Handbook Reference), Benzoic acid, 4-((((4-((bis(1-aziridinyl)phosphinyl)oxy)phenyl)amino)carbonyl)oxy)-, methyl ester, Benzoic acid, p-((4-hydroxycarbaniloyl)oxy)-, methyl ester, ester with bis(1-aziridinyl)phosphinate, methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenyl]carbamoyloxy]benzoate, BENZOIC ACID, p-((4-HYDROXYCARBANILOYL)OXY)-, METHYL ESTER, ESTER with BIS(1-AZI
| Molecular Formula | C19H20N3O6P |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.10898 |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 41363-21-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)OP(=O)(N3CC3)N4CC4 |
| InChIKey | MKZDXYYYRSDVCA-UHFFFAOYSA-N |
Product Overview
RefChem:327797 (CAS 41363-21-7), with molecular formula C19H20N3O6P and molecular weight 417.11 g/mol. IUPAC: methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenyl]carbamoyloxy]benzoate.
Chemical Property Profile of RefChem:327797
Property Insights of RefChem:327797
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327797. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327797. Following Lipinski's Rule of Five, RefChem:327797 has 1 hydrogen bond donor(s) and 8 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 RefChem:327797?
The CAS number of RefChem:327797 is 41363-21-7.
What is the molecular formula of RefChem:327797?
The molecular formula of RefChem:327797 is C19H20N3O6P.
What is the molecular weight of RefChem:327797?
The molecular weight of RefChem:327797 is 417.11 g/mol.
Where can I buy RefChem:327797?
You can request a quote for RefChem:327797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327797?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.