2,5-Dcdopa
TL;DR: 2,5-Dcdopa (CAS 98624-45-4) is a chemical compound with molecular formula C27H28Cl2N4O9S and molecular weight 654.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[(2R)-2-[[(2,5-dichloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 2,5-Dcdopa, 6-(2-(3-3- penicillanicacid, KST-1A9239, (2s,5r,6r)-6-{[(2r)-2-{[(2,5-dichloro-3,4-dihydroxybenzoyl)(3-hydroxypropyl)carbamoyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-[[(2R)-2-[[(2,5-dichloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C27H28Cl2N4O9S |
|---|---|
| Molecular Weight | 654.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 654.0954 |
| Heavy Atoms | 43 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 98624-45-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=CC(=C(C(=C4Cl)O)O)Cl)C(=O)O)C |
| InChIKey | DBYDVZNBMQOGFU-XBFDIVRLSA-N |
Product Overview
2,5-Dcdopa (CAS 98624-45-4), with molecular formula C27H28Cl2N4O9S and molecular weight 654.10 g/mol. IUPAC: (2S,5R,6R)-6-[[(2R)-2-[[(2,5-dichloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 2,5-Dcdopa
Property Insights of 2,5-Dcdopa
The XLogP value of 3.1 indicates that 2,5-Dcdopa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 222.0 Ų indicates high polarity, suggesting 2,5-Dcdopa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Dcdopa 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 2,5-Dcdopa?
The CAS number of 2,5-Dcdopa is 98624-45-4.
What is the molecular formula of 2,5-Dcdopa?
The molecular formula of 2,5-Dcdopa is C27H28Cl2N4O9S.
What is the molecular weight of 2,5-Dcdopa?
The molecular weight of 2,5-Dcdopa is 654.10 g/mol.
Where can I buy 2,5-Dcdopa?
You can request a quote for 2,5-Dcdopa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dcdopa?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dcdopa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.