EINECS 264-914-3
TL;DR: EINECS 264-914-3 (CAS 64485-92-3) is a chemical compound with molecular formula C35H31N5O7S2 and molecular weight 697.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: EINECS 264-914-3, (6R)-3-[(Acetyloxy)methyl]-7alpha-[[[(Z)-methoxyimino][2-[(triphenylmethyl)amino]-4-thiazolyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(methoxyimino)-2-{2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl}acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-(methoxyimino)[2-[(triphenylmethyl)amino]-4-thiazolyl]acetyl]amino]-8-oxo-, (6R,7R)-
| Molecular Formula | C35H31N5O7S2 |
|---|---|
| Molecular Weight | 697.17 g/mol |
| LogP | 4.1993 |
| Topological Polar Surface Area | 159.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 697.1665 |
| Heavy Atoms | 49 |
| Complexity | 1836.4371 |
Chemical Identifiers
| CAS Number | 64485-92-3 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC1)C(=O)O |
Product Overview
EINECS 264-914-3 (CAS 64485-92-3), with molecular formula C35H31N5O7S2 and molecular weight 697.17 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of EINECS 264-914-3
Property Insights of EINECS 264-914-3
The XLogP value of 4.1993 indicates that EINECS 264-914-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.52 Ų indicates high polarity, suggesting EINECS 264-914-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 264-914-3 has 3 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 EINECS 264-914-3?
The CAS number of EINECS 264-914-3 is 64485-92-3.
What is the molecular formula of EINECS 264-914-3?
The molecular formula of EINECS 264-914-3 is C35H31N5O7S2.
What is the molecular weight of EINECS 264-914-3?
The molecular weight of EINECS 264-914-3 is 697.17 g/mol.
Where can I buy EINECS 264-914-3?
You can request a quote for EINECS 264-914-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 264-914-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 264-914-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.