L-Aspartic acid der.
TL;DR: L-Aspartic acid der. (CAS 136242-97-2) is a chemical compound with molecular formula C21H21ClN6O5 and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloro-5-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Also Known As: L-Aspartic acid der., L-Aspartic acid, N-(2-chloro-5-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-, Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-, dihydrate, L-, 2-[[2-chloro-5-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
| Molecular Formula | C21H21ClN6O5 |
|---|---|
| Molecular Weight | 472.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.1262 |
| Heavy Atoms | 33 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 136242-97-2 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C=C3)Cl)C(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | SGUMXALIXOMJSH-UHFFFAOYSA-N |
Product Overview
L-Aspartic acid der. (CAS 136242-97-2), with molecular formula C21H21ClN6O5 and molecular weight 472.13 g/mol. IUPAC: 2-[[2-chloro-5-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid.
Chemical Property Profile of L-Aspartic acid der.
Property Insights of L-Aspartic acid der.
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Aspartic acid der.. The TPSA of 194.0 Ų indicates high polarity, suggesting L-Aspartic acid der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Aspartic acid der. has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Aspartic acid der.?
The CAS number of L-Aspartic acid der. is 136242-97-2.
What is the molecular formula of L-Aspartic acid der.?
The molecular formula of L-Aspartic acid der. is C21H21ClN6O5.
What is the molecular weight of L-Aspartic acid der.?
The molecular weight of L-Aspartic acid der. is 472.13 g/mol.
Where can I buy L-Aspartic acid der.?
You can request a quote for L-Aspartic acid der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Aspartic acid der.?
Yes, KEHONG BIO provides custom synthesis services for L-Aspartic acid der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.