1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate
TL;DR: 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate (CAS 138405-02-4) is a chemical compound with molecular formula C35H47N3O6 and molecular weight 605.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)acetate
Also Known As: 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate, 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)acetate, Glycine, N-((phenylmethoxy)carbonyl)-, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-1-(((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)methyl)ethyl ester, 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-phenylmethoxycarbonyl aminoacetate, 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-phenylmethoxycarbonylaminoacetate
| Molecular Formula | C35H47N3O6 |
|---|---|
| Molecular Weight | 605.35 g/mol |
| LogP | 4.4898 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 605.3465 |
| Heavy Atoms | 44 |
| Complexity | 1133.6046 |
Chemical Identifiers
| CAS Number | 138405-02-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC(CNC(=O)C45CC6CC(C4)CC(C6)C5)OC(=O)CNC(=O)OCC7=CC=CC=C7 |
Product Overview
1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate (CAS 138405-02-4), with molecular formula C35H47N3O6 and molecular weight 605.35 g/mol. IUPAC: 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)acetate.
Chemical Property Profile of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate
Property Insights of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate
The XLogP value of 4.4898 indicates that 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate. Following Lipinski's Rule of Five, 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate?
The CAS number of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate is 138405-02-4.
What is the molecular formula of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate?
The molecular formula of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate is C35H47N3O6.
What is the molecular weight of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate?
The molecular weight of 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate is 605.35 g/mol.
Where can I buy 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate?
You can request a quote for 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis propan-2-yl2-phenylmethoxycarbonylaminoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.